2-phenyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine

C18H22N2 — CID 43769450

IUPAC2-phenyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
SMILESc1ccc(C2CCCCC2NCc2cccnc2)cc1
InChIInChI=1S/C18H22N2/c1-2-8-16(9-3-1)17-10-4-5-11-18(17)20-14-15-7-6-12-19-13-15/h1-3,6-9,12-13,17-18,20H,4-5,10-11,14H2
InChIKeyVLWOBHMJSZZBJN-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.90
Rot. Bonds4

About 2-phenyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine

2-phenyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine (PubChem CID 43769450) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-phenyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-phenyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
PubChem CID43769450
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name2-phenyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
SMILESc1ccc(C2CCCCC2NCc2cccnc2)cc1
InChIInChI=1S/C18H22N2/c1-2-8-16(9-3-1)17-10-4-5-11-18(17)20-14-15-7-6-12-19-13-15/h1-3,6-9,12-13,17-18,20H,4-5,10-11,14H2
InChIKeyVLWOBHMJSZZBJN-UHFFFAOYSA-N
XLogP3.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2S)-2-phenyl-N-(pyridin-3-ylmethyl)cyclopropan-1-amine
CID 46869803
N-[(6-methyl-3-pyridinyl)methyl]-2-phenylcyclohexan-1-amine
CID 62994908
N-ethyl-2-pyridin-3-ylcycloheptan-1-amine
CID 62604063
[2-(pyridin-3-ylmethylamino)cyclohexyl]methanol
CID 111440219
2-phenyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine
CID 54897003
2-(pyridin-3-ylmethylamino)cycloheptane-1-carbonitrile
CID 55114369
N-[(3-bromophenyl)methyl]-2-phenylcyclohexan-1-amine
CID 63454758
2-methylsulfonyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 75384290
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
(1R,5S,6R,7S)-7-phenyl-N-(pyridin-3-ylmethyl)bicyclo[3.2.0]heptan-6-amine
CID 51590446
(1S,5R,6R,7S)-7-phenyl-N-(pyridin-3-ylmethyl)bicyclo[3.2.0]heptan-6-amine
CID 51590448
cis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 129434882

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2-phenyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine (CID 43769450) is 2-phenyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-phenyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2-phenyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine is c1ccc(C2CCCCC2NCc2cccnc2)cc1.
What is the InChIKey of 2-phenyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine?
The InChIKey is VLWOBHMJSZZBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-2-8-16(9-3-1)17-10-4-5-11-18(17)20-14-15-7-6-12-19-13-15/h1-3,6-9,12-13,17-18,20H,4-5,10-11,14H2.
What are the key properties of 2-phenyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine?
2-phenyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine has a molecular weight of 266.39 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 43769450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).