1-(4-chlorophenyl)-N-(cyclohexylmethyl)-1-pyridin-3-ylmethanamine

C19H23ClN2 — CID 56669047

IUPAC1-(4-chlorophenyl)-N-(cyclohexylmethyl)-1-pyridin-3-ylmethanamine
SMILESClc1ccc(C(NCC2CCCCC2)c2cccnc2)cc1
InChIInChI=1S/C19H23ClN2/c20-18-10-8-16(9-11-18)19(17-7-4-12-21-14-17)22-13-15-5-2-1-3-6-15/h4,7-12,14-15,19,22H,1-3,5-6,13H2
InChIKeyCHDXMPOBTGDHKS-UHFFFAOYSA-N
MW314.86 g/mol
LogP4.99
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(cyclohexylmethyl)-1-pyridin-3-ylmethanamine

1-(4-chlorophenyl)-N-(cyclohexylmethyl)-1-pyridin-3-ylmethanamine (PubChem CID 56669047) has the molecular formula C19H23ClN2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(cyclohexylmethyl)-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(cyclohexylmethyl)-1-pyridin-3-ylmethanamine
PubChem CID56669047
Molecular FormulaC19H23ClN2
Molecular Weight314.86 g/mol
Exact Mass314.15
IUPAC Name1-(4-chlorophenyl)-N-(cyclohexylmethyl)-1-pyridin-3-ylmethanamine
SMILESClc1ccc(C(NCC2CCCCC2)c2cccnc2)cc1
InChIInChI=1S/C19H23ClN2/c20-18-10-8-16(9-11-18)19(17-7-4-12-21-14-17)22-13-15-5-2-1-3-6-15/h4,7-12,14-15,19,22H,1-3,5-6,13H2
InChIKeyCHDXMPOBTGDHKS-UHFFFAOYSA-N
XLogP4.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(cyclohexylmethyl)-1-pyridin-3-ylmethanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-(cyclohexylmethyl)-1-pyridin-3-ylmethanamine (CID 56669047) is 1-(4-chlorophenyl)-N-(cyclohexylmethyl)-1-pyridin-3-ylmethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(cyclohexylmethyl)-1-pyridin-3-ylmethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(cyclohexylmethyl)-1-pyridin-3-ylmethanamine is Clc1ccc(C(NCC2CCCCC2)c2cccnc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(cyclohexylmethyl)-1-pyridin-3-ylmethanamine?
The InChIKey is CHDXMPOBTGDHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2/c20-18-10-8-16(9-11-18)19(17-7-4-12-21-14-17)22-13-15-5-2-1-3-6-15/h4,7-12,14-15,19,22H,1-3,5-6,13H2.
What are the key properties of 1-(4-chlorophenyl)-N-(cyclohexylmethyl)-1-pyridin-3-ylmethanamine?
1-(4-chlorophenyl)-N-(cyclohexylmethyl)-1-pyridin-3-ylmethanamine has a molecular weight of 314.86 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(cyclohexylmethyl)-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 56669047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).