6-[4-[3-(aminomethyl)phenyl]phenoxy]pyridin-3-amine;6-[3-(4-aminophenoxy)-4-phenylphenoxy]pyridin-3-amine;6-[3-[(5-amino-2-pyridinyl)oxy]-4-phenylphenoxy]pyridin-3-amine;2-[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]acetamide;[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]methanol

C100H87N15O9 — CID 165025875

IUPAC6-[4-[3-(aminomethyl)phenyl]phenoxy]pyridin-3-amine;6-[3-(4-aminophenoxy)-4-phenylphenoxy]pyridin-3-amine;6-[3-[(5-amino-2-pyridinyl)oxy]-4-phenylphenoxy]pyridin-3-amine;2-[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]acetamide;[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]methanol
SMILESNC(=O)Cc1cccc(-c2ccc(Oc3ccc(N)cn3)cc2)c1.NCc1cccc(-c2ccc(Oc3ccc(N)cn3)cc2)c1.Nc1ccc(Oc2cc(Oc3ccc(N)cn3)ccc2-c2ccccc2)cc1.Nc1ccc(Oc2ccc(-c3cccc(CO)c3)cc2)nc1.Nc1ccc(Oc2ccc(-c3ccccc3)c(Oc3ccc(N)cn3)c2)nc1
InChIInChI=1S/C23H19N3O2.C22H18N4O2.C19H17N3O2.C18H17N3O.C18H16N2O2/c24-17-6-9-19(10-7-17)27-22-14-20(28-23-13-8-18(25)15-26-23)11-12-21(22)16-4-2-1-3-5-16;23-16-6-10-21(25-13-16)27-18-8-9-19(15-4-2-1-3-5-15)20(12-18)28-22-11-7-17(24)14-26-22;20-16-6-9-19(22-12-16)24-17-7-4-14(5-8-17)15-3-1-2-13(10-15)11-18(21)23;19-11-13-2-1-3-15(10-13)14-4-7-17(8-5-14)22-18-9-6-16(20)12-21-18;19-16-6-9-18(20-11-16)22-17-7-4-14(5-8-17)15-3-1-2-13(10-15)12-21/h1-15H,24-25H2;1-14H,23-24H2;1-10,12H,11,20H2,(H2,21,23);1-10,12H,11,19-20H2;1-11,21H,12,19H2
InChIKeyLWIXAUCOBLSWQO-UHFFFAOYSA-N
MW1642.89 g/mol
LogP20.74
Rot. Bonds23

About 6-[4-[3-(aminomethyl)phenyl]phenoxy]pyridin-3-amine;6-[3-(4-aminophenoxy)-4-phenylphenoxy]pyridin-3-amine;6-[3-[(5-amino-2-pyridinyl)oxy]-4-phenylphenoxy]pyridin-3-amine;2-[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]acetamide;[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]methanol

6-[4-[3-(aminomethyl)phenyl]phenoxy]pyridin-3-amine;6-[3-(4-aminophenoxy)-4-phenylphenoxy]pyridin-3-amine;6-[3-[(5-amino-2-pyridinyl)oxy]-4-phenylphenoxy]pyridin-3-amine;2-[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]acetamide;[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]methanol (PubChem CID 165025875) has the molecular formula C100H87N15O9 and a molecular weight of 1642.89 g/mol. Its IUPAC name is 6-[4-[3-(aminomethyl)phenyl]phenoxy]pyridin-3-amine;6-[3-(4-aminophenoxy)-4-phenylphenoxy]pyridin-3-amine;6-[3-[(5-amino-2-pyridinyl)oxy]-4-phenylphenoxy]pyridin-3-amine;2-[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]acetamide;[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]methanol.

Molecular Properties

Compound Name6-[4-[3-(aminomethyl)phenyl]phenoxy]pyridin-3-amine;6-[3-(4-aminophenoxy)-4-phenylphenoxy]pyridin-3-amine;6-[3-[(5-amino-2-pyridinyl)oxy]-4-phenylphenoxy]pyridin-3-amine;2-[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]acetamide;[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]methanol
PubChem CID165025875
Molecular FormulaC100H87N15O9
Molecular Weight1642.89 g/mol
Exact Mass1641.68
IUPAC Name6-[4-[3-(aminomethyl)phenyl]phenoxy]pyridin-3-amine;6-[3-(4-aminophenoxy)-4-phenylphenoxy]pyridin-3-amine;6-[3-[(5-amino-2-pyridinyl)oxy]-4-phenylphenoxy]pyridin-3-amine;2-[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]acetamide;[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]methanol
SMILESNC(=O)Cc1cccc(-c2ccc(Oc3ccc(N)cn3)cc2)c1.NCc1cccc(-c2ccc(Oc3ccc(N)cn3)cc2)c1.Nc1ccc(Oc2cc(Oc3ccc(N)cn3)ccc2-c2ccccc2)cc1.Nc1ccc(Oc2ccc(-c3cccc(CO)c3)cc2)nc1.Nc1ccc(Oc2ccc(-c3ccccc3)c(Oc3ccc(N)cn3)c2)nc1
InChIInChI=1S/C23H19N3O2.C22H18N4O2.C19H17N3O2.C18H17N3O.C18H16N2O2/c24-17-6-9-19(10-7-17)27-22-14-20(28-23-13-8-18(25)15-26-23)11-12-21(22)16-4-2-1-3-5-16;23-16-6-10-21(25-13-16)27-18-8-9-19(15-4-2-1-3-5-15)20(12-18)28-22-11-7-17(24)14-26-22;20-16-6-9-19(22-12-16)24-17-7-4-14(5-8-17)15-3-1-2-13(10-15)11-18(21)23;19-11-13-2-1-3-15(10-13)14-4-7-17(8-5-14)22-18-9-6-16(20)12-21-18;19-16-6-9-18(20-11-16)22-17-7-4-14(5-8-17)15-3-1-2-13(10-15)12-21/h1-15H,24-25H2;1-14H,23-24H2;1-10,12H,11,20H2,(H2,21,23);1-10,12H,11,19-20H2;1-11,21H,12,19H2
InChIKeyLWIXAUCOBLSWQO-UHFFFAOYSA-N
XLogP20.74
TPSA413.43 Ų
H-Bond Donors10
H-Bond Acceptors23
Rotatable Bonds23
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001642.89
LogP ≤ 520.74
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1023

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-[3-(aminomethyl)phenyl]phenoxy]pyridin-3-amine;6-[3-(4-aminophenoxy)-4-phenylphenoxy]pyridin-3-amine;6-[3-[(5-amino-2-pyridinyl)oxy]-4-phenylphenoxy]pyridin-3-amine;2-[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]acetamide;[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]methanol with MolForge

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Launch Full Analysis

Related Compounds

6-(4-benzylphenoxy)pyridin-3-amine
CID 62274041
1-amino-3-(3-phenylphenyl)propan-2-one
CID 161234923
[6-(3-aminophenoxy)-3-pyridinyl]methanol
CID 89089280
6-[4-[(5-amino-2-pyridinyl)oxy]phenoxy]pyridin-3-amine
CID 102449756
3-[2,5-bis(4-aminophenyl)phenoxy]aniline
CID 161035484
6-(4-methylphenoxy)pyridin-3-amine
CID 4763818
2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]methoxy]phenyl]acetic acid;ethanol
CID 144778131
6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine
CID 155192033
2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid
CID 1392506
4-(3-aminophenyl)-3-phenoxyaniline
CID 68785686
5-[4-[(5-amino-2-pyridinyl)oxy]phenyl]-4-methylpyridin-2-amine
CID 162628374
2-[3-[3-(6-methoxy-3-pyridinyl)phenoxy]phenyl]acetic acid
CID 59803473

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(aminomethyl)phenyl]phenoxy]pyridin-3-amine;6-[3-(4-aminophenoxy)-4-phenylphenoxy]pyridin-3-amine;6-[3-[(5-amino-2-pyridinyl)oxy]-4-phenylphenoxy]pyridin-3-amine;2-[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]acetamide;[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]methanol?
The IUPAC name of 6-[4-[3-(aminomethyl)phenyl]phenoxy]pyridin-3-amine;6-[3-(4-aminophenoxy)-4-phenylphenoxy]pyridin-3-amine;6-[3-[(5-amino-2-pyridinyl)oxy]-4-phenylphenoxy]pyridin-3-amine;2-[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]acetamide;[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]methanol (CID 165025875) is 6-[4-[3-(aminomethyl)phenyl]phenoxy]pyridin-3-amine;6-[3-(4-aminophenoxy)-4-phenylphenoxy]pyridin-3-amine;6-[3-[(5-amino-2-pyridinyl)oxy]-4-phenylphenoxy]pyridin-3-amine;2-[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]acetamide;[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]methanol.
What is the SMILES notation for 6-[4-[3-(aminomethyl)phenyl]phenoxy]pyridin-3-amine;6-[3-(4-aminophenoxy)-4-phenylphenoxy]pyridin-3-amine;6-[3-[(5-amino-2-pyridinyl)oxy]-4-phenylphenoxy]pyridin-3-amine;2-[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]acetamide;[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]methanol?
The canonical SMILES for 6-[4-[3-(aminomethyl)phenyl]phenoxy]pyridin-3-amine;6-[3-(4-aminophenoxy)-4-phenylphenoxy]pyridin-3-amine;6-[3-[(5-amino-2-pyridinyl)oxy]-4-phenylphenoxy]pyridin-3-amine;2-[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]acetamide;[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]methanol is NC(=O)Cc1cccc(-c2ccc(Oc3ccc(N)cn3)cc2)c1.NCc1cccc(-c2ccc(Oc3ccc(N)cn3)cc2)c1.Nc1ccc(Oc2cc(Oc3ccc(N)cn3)ccc2-c2ccccc2)cc1.Nc1ccc(Oc2ccc(-c3cccc(CO)c3)cc2)nc1.Nc1ccc(Oc2ccc(-c3ccccc3)c(Oc3ccc(N)cn3)c2)nc1.
What is the InChIKey of 6-[4-[3-(aminomethyl)phenyl]phenoxy]pyridin-3-amine;6-[3-(4-aminophenoxy)-4-phenylphenoxy]pyridin-3-amine;6-[3-[(5-amino-2-pyridinyl)oxy]-4-phenylphenoxy]pyridin-3-amine;2-[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]acetamide;[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]methanol?
The InChIKey is LWIXAUCOBLSWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2.C22H18N4O2.C19H17N3O2.C18H17N3O.C18H16N2O2/c24-17-6-9-19(10-7-17)27-22-14-20(28-23-13-8-18(25)15-26-23)11-12-21(22)16-4-2-1-3-5-16;23-16-6-10-21(25-13-16)27-18-8-9-19(15-4-2-1-3-5-15)20(12-18)28-22-11-7-17(24)14-26-22;20-16-6-9-19(22-12-16)24-17-7-4-14(5-8-17)15-3-1-2-13(10-15)11-18(21)23;19-11-13-2-1-3-15(10-13)14-4-7-17(8-5-14)22-18-9-6-16(20)12-21-18;19-16-6-9-18(20-11-16)22-17-7-4-14(5-8-17)15-3-1-2-13(10-15)12-21/h1-15H,24-25H2;1-14H,23-24H2;1-10,12H,11,20H2,(H2,21,23);1-10,12H,11,19-20H2;1-11,21H,12,19H2.
What are the key properties of 6-[4-[3-(aminomethyl)phenyl]phenoxy]pyridin-3-amine;6-[3-(4-aminophenoxy)-4-phenylphenoxy]pyridin-3-amine;6-[3-[(5-amino-2-pyridinyl)oxy]-4-phenylphenoxy]pyridin-3-amine;2-[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]acetamide;[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]methanol?
6-[4-[3-(aminomethyl)phenyl]phenoxy]pyridin-3-amine;6-[3-(4-aminophenoxy)-4-phenylphenoxy]pyridin-3-amine;6-[3-[(5-amino-2-pyridinyl)oxy]-4-phenylphenoxy]pyridin-3-amine;2-[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]acetamide;[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]methanol has a molecular weight of 1642.89 g/mol, XLogP of 20.74, 23 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(aminomethyl)phenyl]phenoxy]pyridin-3-amine;6-[3-(4-aminophenoxy)-4-phenylphenoxy]pyridin-3-amine;6-[3-[(5-amino-2-pyridinyl)oxy]-4-phenylphenoxy]pyridin-3-amine;2-[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]acetamide;[3-[4-[(5-amino-2-pyridinyl)oxy]phenyl]phenyl]methanol is sourced from PubChem (CID 165025875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).