4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexan-1-amine

C20H21F3N2O — CID 89463081

IUPAC4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexan-1-amine
SMILESCc1nc(Oc2cccc(C=C3CCC(N)CC3)c2)ccc1C(F)(F)F
InChIInChI=1S/C20H21F3N2O/c1-13-18(20(21,22)23)9-10-19(25-13)26-17-4-2-3-15(12-17)11-14-5-7-16(24)8-6-14/h2-4,9-12,16H,5-8,24H2,1H3/b14-11-
InChIKeyUIKOUQGSFVDKAN-KAMYIIQDSA-N
MW362.40 g/mol
LogP5.49
Rot. Bonds3

About 4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexan-1-amine

4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexan-1-amine (PubChem CID 89463081) has the molecular formula C20H21F3N2O and a molecular weight of 362.40 g/mol. Its IUPAC name is 4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexan-1-amine
PubChem CID89463081
Molecular FormulaC20H21F3N2O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexan-1-amine
SMILESCc1nc(Oc2cccc(C=C3CCC(N)CC3)c2)ccc1C(F)(F)F
InChIInChI=1S/C20H21F3N2O/c1-13-18(20(21,22)23)9-10-19(25-13)26-17-4-2-3-15(12-17)11-14-5-7-16(24)8-6-14/h2-4,9-12,16H,5-8,24H2,1H3/b14-11-
InChIKeyUIKOUQGSFVDKAN-KAMYIIQDSA-N
XLogP5.49
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.40
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexan-1-amine?
The IUPAC name of 4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexan-1-amine (CID 89463081) is 4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexan-1-amine.
What is the SMILES notation for 4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexan-1-amine?
The canonical SMILES for 4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexan-1-amine is Cc1nc(Oc2cccc(C=C3CCC(N)CC3)c2)ccc1C(F)(F)F.
What is the InChIKey of 4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexan-1-amine?
The InChIKey is UIKOUQGSFVDKAN-KAMYIIQDSA-N. The full InChI is InChI=1S/C20H21F3N2O/c1-13-18(20(21,22)23)9-10-19(25-13)26-17-4-2-3-15(12-17)11-14-5-7-16(24)8-6-14/h2-4,9-12,16H,5-8,24H2,1H3/b14-11-.
What are the key properties of 4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexan-1-amine?
4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexan-1-amine has a molecular weight of 362.40 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexan-1-amine is sourced from PubChem (CID 89463081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).