6-[4-(1-adamantyl)phenoxy]pyridin-3-amine;4-(4-tert-butylphenoxy)-3-fluoroaniline;6-(3-tert-butylphenoxy)pyridin-3-amine;6-(4-butylphenoxy)pyridin-3-amine;4-(4-cyclohexylphenoxy)aniline;4-(4-cyclohexylphenoxy)-3-fluoroaniline;4-[4-(2-methylbutan-2-yl)phenoxy]aniline;6-[4-(2-methylbutan-2-yl)phenoxy]pyridin-3-amine

C136H160F2N12O8 — CID 160717973

IUPAC6-[4-(1-adamantyl)phenoxy]pyridin-3-amine;4-(4-tert-butylphenoxy)-3-fluoroaniline;6-(3-tert-butylphenoxy)pyridin-3-amine;6-(4-butylphenoxy)pyridin-3-amine;4-(4-cyclohexylphenoxy)aniline;4-(4-cyclohexylphenoxy)-3-fluoroaniline;4-[4-(2-methylbutan-2-yl)phenoxy]aniline;6-[4-(2-methylbutan-2-yl)phenoxy]pyridin-3-amine
SMILESCC(C)(C)c1ccc(Oc2ccc(N)cc2F)cc1.CC(C)(C)c1cccc(Oc2ccc(N)cn2)c1.CCC(C)(C)c1ccc(Oc2ccc(N)cc2)cc1.CCC(C)(C)c1ccc(Oc2ccc(N)cn2)cc1.CCCCc1ccc(Oc2ccc(N)cn2)cc1.Nc1ccc(Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)nc1.Nc1ccc(Oc2ccc(C3CCCCC3)cc2)c(F)c1.Nc1ccc(Oc2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C21H24N2O.C18H20FNO.C18H21NO.C17H21NO.C16H18FNO.C16H20N2O.2C15H18N2O/c22-18-3-6-20(23-13-18)24-19-4-1-17(2-5-19)21-10-14-7-15(11-21)9-16(8-14)12-21;19-17-12-15(20)8-11-18(17)21-16-9-6-14(7-10-16)13-4-2-1-3-5-13;19-16-8-12-18(13-9-16)20-17-10-6-15(7-11-17)14-4-2-1-3-5-14;1-4-17(2,3)13-5-9-15(10-6-13)19-16-11-7-14(18)8-12-16;1-16(2,3)11-4-7-13(8-5-11)19-15-9-6-12(18)10-14(15)17;1-4-16(2,3)12-5-8-14(9-6-12)19-15-10-7-13(17)11-18-15;1-15(2,3)11-5-4-6-13(9-11)18-14-8-7-12(16)10-17-14;1-2-3-4-12-5-8-14(9-6-12)18-15-10-7-13(16)11-17-15/h1-6,13-16H,7-12,22H2;6-13H,1-5,20H2;6-14H,1-5,19H2;5-12H,4,18H2,1-3H3;4-10H,18H2,1-3H3;5-11H,4,17H2,1-3H3;4-10H,16H2,1-3H3;5-11H,2-4,16H2,1H3
InChIKeyRSSOHIACLBMJFX-UHFFFAOYSA-N
MW2128.85 g/mol
LogP36.22
Rot. Bonds26

About 6-[4-(1-adamantyl)phenoxy]pyridin-3-amine;4-(4-tert-butylphenoxy)-3-fluoroaniline;6-(3-tert-butylphenoxy)pyridin-3-amine;6-(4-butylphenoxy)pyridin-3-amine;4-(4-cyclohexylphenoxy)aniline;4-(4-cyclohexylphenoxy)-3-fluoroaniline;4-[4-(2-methylbutan-2-yl)phenoxy]aniline;6-[4-(2-methylbutan-2-yl)phenoxy]pyridin-3-amine

6-[4-(1-adamantyl)phenoxy]pyridin-3-amine;4-(4-tert-butylphenoxy)-3-fluoroaniline;6-(3-tert-butylphenoxy)pyridin-3-amine;6-(4-butylphenoxy)pyridin-3-amine;4-(4-cyclohexylphenoxy)aniline;4-(4-cyclohexylphenoxy)-3-fluoroaniline;4-[4-(2-methylbutan-2-yl)phenoxy]aniline;6-[4-(2-methylbutan-2-yl)phenoxy]pyridin-3-amine (PubChem CID 160717973) has the molecular formula C136H160F2N12O8 and a molecular weight of 2128.85 g/mol. Its IUPAC name is 6-[4-(1-adamantyl)phenoxy]pyridin-3-amine;4-(4-tert-butylphenoxy)-3-fluoroaniline;6-(3-tert-butylphenoxy)pyridin-3-amine;6-(4-butylphenoxy)pyridin-3-amine;4-(4-cyclohexylphenoxy)aniline;4-(4-cyclohexylphenoxy)-3-fluoroaniline;4-[4-(2-methylbutan-2-yl)phenoxy]aniline;6-[4-(2-methylbutan-2-yl)phenoxy]pyridin-3-amine.

Molecular Properties

Compound Name6-[4-(1-adamantyl)phenoxy]pyridin-3-amine;4-(4-tert-butylphenoxy)-3-fluoroaniline;6-(3-tert-butylphenoxy)pyridin-3-amine;6-(4-butylphenoxy)pyridin-3-amine;4-(4-cyclohexylphenoxy)aniline;4-(4-cyclohexylphenoxy)-3-fluoroaniline;4-[4-(2-methylbutan-2-yl)phenoxy]aniline;6-[4-(2-methylbutan-2-yl)phenoxy]pyridin-3-amine
PubChem CID160717973
Molecular FormulaC136H160F2N12O8
Molecular Weight2128.85 g/mol
Exact Mass2127.25
IUPAC Name6-[4-(1-adamantyl)phenoxy]pyridin-3-amine;4-(4-tert-butylphenoxy)-3-fluoroaniline;6-(3-tert-butylphenoxy)pyridin-3-amine;6-(4-butylphenoxy)pyridin-3-amine;4-(4-cyclohexylphenoxy)aniline;4-(4-cyclohexylphenoxy)-3-fluoroaniline;4-[4-(2-methylbutan-2-yl)phenoxy]aniline;6-[4-(2-methylbutan-2-yl)phenoxy]pyridin-3-amine
SMILESCC(C)(C)c1ccc(Oc2ccc(N)cc2F)cc1.CC(C)(C)c1cccc(Oc2ccc(N)cn2)c1.CCC(C)(C)c1ccc(Oc2ccc(N)cc2)cc1.CCC(C)(C)c1ccc(Oc2ccc(N)cn2)cc1.CCCCc1ccc(Oc2ccc(N)cn2)cc1.Nc1ccc(Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)nc1.Nc1ccc(Oc2ccc(C3CCCCC3)cc2)c(F)c1.Nc1ccc(Oc2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C21H24N2O.C18H20FNO.C18H21NO.C17H21NO.C16H18FNO.C16H20N2O.2C15H18N2O/c22-18-3-6-20(23-13-18)24-19-4-1-17(2-5-19)21-10-14-7-15(11-21)9-16(8-14)12-21;19-17-12-15(20)8-11-18(17)21-16-9-6-14(7-10-16)13-4-2-1-3-5-13;19-16-8-12-18(13-9-16)20-17-10-6-15(7-11-17)14-4-2-1-3-5-14;1-4-17(2,3)13-5-9-15(10-6-13)19-16-11-7-14(18)8-12-16;1-16(2,3)11-4-7-13(8-5-11)19-15-9-6-12(18)10-14(15)17;1-4-16(2,3)12-5-8-14(9-6-12)19-15-10-7-13(17)11-18-15;1-15(2,3)11-5-4-6-13(9-11)18-14-8-7-12(16)10-17-14;1-2-3-4-12-5-8-14(9-6-12)18-15-10-7-13(16)11-17-15/h1-6,13-16H,7-12,22H2;6-13H,1-5,20H2;6-14H,1-5,19H2;5-12H,4,18H2,1-3H3;4-10H,18H2,1-3H3;5-11H,4,17H2,1-3H3;4-10H,16H2,1-3H3;5-11H,2-4,16H2,1H3
InChIKeyRSSOHIACLBMJFX-UHFFFAOYSA-N
XLogP36.22
TPSA333.56 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds26
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002128.85
LogP ≤ 536.22
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_OC_no_alk_A(8)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-[4-(1-adamantyl)phenoxy]pyridin-3-amine;4-(4-tert-butylphenoxy)-3-fluoroaniline;6-(3-tert-butylphenoxy)pyridin-3-amine;6-(4-butylphenoxy)pyridin-3-amine;4-(4-cyclohexylphenoxy)aniline;4-(4-cyclohexylphenoxy)-3-fluoroaniline;4-[4-(2-methylbutan-2-yl)phenoxy]aniline;6-[4-(2-methylbutan-2-yl)phenoxy]pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-adamantyl)phenoxy]pyridin-3-amine;4-(4-tert-butylphenoxy)-3-fluoroaniline;6-(3-tert-butylphenoxy)pyridin-3-amine;6-(4-butylphenoxy)pyridin-3-amine;4-(4-cyclohexylphenoxy)aniline;4-(4-cyclohexylphenoxy)-3-fluoroaniline;4-[4-(2-methylbutan-2-yl)phenoxy]aniline;6-[4-(2-methylbutan-2-yl)phenoxy]pyridin-3-amine?
The IUPAC name of 6-[4-(1-adamantyl)phenoxy]pyridin-3-amine;4-(4-tert-butylphenoxy)-3-fluoroaniline;6-(3-tert-butylphenoxy)pyridin-3-amine;6-(4-butylphenoxy)pyridin-3-amine;4-(4-cyclohexylphenoxy)aniline;4-(4-cyclohexylphenoxy)-3-fluoroaniline;4-[4-(2-methylbutan-2-yl)phenoxy]aniline;6-[4-(2-methylbutan-2-yl)phenoxy]pyridin-3-amine (CID 160717973) is 6-[4-(1-adamantyl)phenoxy]pyridin-3-amine;4-(4-tert-butylphenoxy)-3-fluoroaniline;6-(3-tert-butylphenoxy)pyridin-3-amine;6-(4-butylphenoxy)pyridin-3-amine;4-(4-cyclohexylphenoxy)aniline;4-(4-cyclohexylphenoxy)-3-fluoroaniline;4-[4-(2-methylbutan-2-yl)phenoxy]aniline;6-[4-(2-methylbutan-2-yl)phenoxy]pyridin-3-amine.
What is the SMILES notation for 6-[4-(1-adamantyl)phenoxy]pyridin-3-amine;4-(4-tert-butylphenoxy)-3-fluoroaniline;6-(3-tert-butylphenoxy)pyridin-3-amine;6-(4-butylphenoxy)pyridin-3-amine;4-(4-cyclohexylphenoxy)aniline;4-(4-cyclohexylphenoxy)-3-fluoroaniline;4-[4-(2-methylbutan-2-yl)phenoxy]aniline;6-[4-(2-methylbutan-2-yl)phenoxy]pyridin-3-amine?
The canonical SMILES for 6-[4-(1-adamantyl)phenoxy]pyridin-3-amine;4-(4-tert-butylphenoxy)-3-fluoroaniline;6-(3-tert-butylphenoxy)pyridin-3-amine;6-(4-butylphenoxy)pyridin-3-amine;4-(4-cyclohexylphenoxy)aniline;4-(4-cyclohexylphenoxy)-3-fluoroaniline;4-[4-(2-methylbutan-2-yl)phenoxy]aniline;6-[4-(2-methylbutan-2-yl)phenoxy]pyridin-3-amine is CC(C)(C)c1ccc(Oc2ccc(N)cc2F)cc1.CC(C)(C)c1cccc(Oc2ccc(N)cn2)c1.CCC(C)(C)c1ccc(Oc2ccc(N)cc2)cc1.CCC(C)(C)c1ccc(Oc2ccc(N)cn2)cc1.CCCCc1ccc(Oc2ccc(N)cn2)cc1.Nc1ccc(Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)nc1.Nc1ccc(Oc2ccc(C3CCCCC3)cc2)c(F)c1.Nc1ccc(Oc2ccc(C3CCCCC3)cc2)cc1.
What is the InChIKey of 6-[4-(1-adamantyl)phenoxy]pyridin-3-amine;4-(4-tert-butylphenoxy)-3-fluoroaniline;6-(3-tert-butylphenoxy)pyridin-3-amine;6-(4-butylphenoxy)pyridin-3-amine;4-(4-cyclohexylphenoxy)aniline;4-(4-cyclohexylphenoxy)-3-fluoroaniline;4-[4-(2-methylbutan-2-yl)phenoxy]aniline;6-[4-(2-methylbutan-2-yl)phenoxy]pyridin-3-amine?
The InChIKey is RSSOHIACLBMJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O.C18H20FNO.C18H21NO.C17H21NO.C16H18FNO.C16H20N2O.2C15H18N2O/c22-18-3-6-20(23-13-18)24-19-4-1-17(2-5-19)21-10-14-7-15(11-21)9-16(8-14)12-21;19-17-12-15(20)8-11-18(17)21-16-9-6-14(7-10-16)13-4-2-1-3-5-13;19-16-8-12-18(13-9-16)20-17-10-6-15(7-11-17)14-4-2-1-3-5-14;1-4-17(2,3)13-5-9-15(10-6-13)19-16-11-7-14(18)8-12-16;1-16(2,3)11-4-7-13(8-5-11)19-15-9-6-12(18)10-14(15)17;1-4-16(2,3)12-5-8-14(9-6-12)19-15-10-7-13(17)11-18-15;1-15(2,3)11-5-4-6-13(9-11)18-14-8-7-12(16)10-17-14;1-2-3-4-12-5-8-14(9-6-12)18-15-10-7-13(16)11-17-15/h1-6,13-16H,7-12,22H2;6-13H,1-5,20H2;6-14H,1-5,19H2;5-12H,4,18H2,1-3H3;4-10H,18H2,1-3H3;5-11H,4,17H2,1-3H3;4-10H,16H2,1-3H3;5-11H,2-4,16H2,1H3.
What are the key properties of 6-[4-(1-adamantyl)phenoxy]pyridin-3-amine;4-(4-tert-butylphenoxy)-3-fluoroaniline;6-(3-tert-butylphenoxy)pyridin-3-amine;6-(4-butylphenoxy)pyridin-3-amine;4-(4-cyclohexylphenoxy)aniline;4-(4-cyclohexylphenoxy)-3-fluoroaniline;4-[4-(2-methylbutan-2-yl)phenoxy]aniline;6-[4-(2-methylbutan-2-yl)phenoxy]pyridin-3-amine?
6-[4-(1-adamantyl)phenoxy]pyridin-3-amine;4-(4-tert-butylphenoxy)-3-fluoroaniline;6-(3-tert-butylphenoxy)pyridin-3-amine;6-(4-butylphenoxy)pyridin-3-amine;4-(4-cyclohexylphenoxy)aniline;4-(4-cyclohexylphenoxy)-3-fluoroaniline;4-[4-(2-methylbutan-2-yl)phenoxy]aniline;6-[4-(2-methylbutan-2-yl)phenoxy]pyridin-3-amine has a molecular weight of 2128.85 g/mol, XLogP of 36.22, 26 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-adamantyl)phenoxy]pyridin-3-amine;4-(4-tert-butylphenoxy)-3-fluoroaniline;6-(3-tert-butylphenoxy)pyridin-3-amine;6-(4-butylphenoxy)pyridin-3-amine;4-(4-cyclohexylphenoxy)aniline;4-(4-cyclohexylphenoxy)-3-fluoroaniline;4-[4-(2-methylbutan-2-yl)phenoxy]aniline;6-[4-(2-methylbutan-2-yl)phenoxy]pyridin-3-amine is sourced from PubChem (CID 160717973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).