1-(3-chlorocyclohexyl)-N-[(2-chlorophenyl)methyl]methanamine

C14H19Cl2N — CID 106122381

IUPAC1-(3-chlorocyclohexyl)-N-[(2-chlorophenyl)methyl]methanamine
SMILESClc1ccccc1CNCC1CCCC(Cl)C1
InChIInChI=1S/C14H19Cl2N/c15-13-6-3-4-11(8-13)9-17-10-12-5-1-2-7-14(12)16/h1-2,5,7,11,13,17H,3-4,6,8-10H2
InChIKeyFOMHKOVSIWQCHN-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.23
Rot. Bonds4

About 1-(3-chlorocyclohexyl)-N-[(2-chlorophenyl)methyl]methanamine

1-(3-chlorocyclohexyl)-N-[(2-chlorophenyl)methyl]methanamine (PubChem CID 106122381) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is 1-(3-chlorocyclohexyl)-N-[(2-chlorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-chlorocyclohexyl)-N-[(2-chlorophenyl)methyl]methanamine
PubChem CID106122381
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name1-(3-chlorocyclohexyl)-N-[(2-chlorophenyl)methyl]methanamine
SMILESClc1ccccc1CNCC1CCCC(Cl)C1
InChIInChI=1S/C14H19Cl2N/c15-13-6-3-4-11(8-13)9-17-10-12-5-1-2-7-14(12)16/h1-2,5,7,11,13,17H,3-4,6,8-10H2
InChIKeyFOMHKOVSIWQCHN-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-cyclobutylethanamine
CID 115690120
N-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine
CID 46231607
N-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine;hexahydrochloride
CID 90664483
4-[[(3-chlorocyclohexyl)methylamino]methyl]phenol
CID 106122675
2-[[(2-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 64926908
1-(3-chlorocyclohexyl)-N-[(3-chloro-4-fluorophenyl)methyl]methanamine
CID 106122774
N-[(2,4-dichlorophenyl)methyl]-1-[3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine;hexahydrochloride
CID 90665221
1-(3-chlorocyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine
CID 114146431
N-[(2-chlorophenyl)methyl]-1-(3,5-dimethylcyclohex-3-en-1-yl)methanamine
CID 103275983
N-[(2-chlorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
CID 95731898
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
2-[(cyclopentylmethylamino)methyl]phenol
CID 43370918

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorocyclohexyl)-N-[(2-chlorophenyl)methyl]methanamine?
The IUPAC name of 1-(3-chlorocyclohexyl)-N-[(2-chlorophenyl)methyl]methanamine (CID 106122381) is 1-(3-chlorocyclohexyl)-N-[(2-chlorophenyl)methyl]methanamine.
What is the SMILES notation for 1-(3-chlorocyclohexyl)-N-[(2-chlorophenyl)methyl]methanamine?
The canonical SMILES for 1-(3-chlorocyclohexyl)-N-[(2-chlorophenyl)methyl]methanamine is Clc1ccccc1CNCC1CCCC(Cl)C1.
What is the InChIKey of 1-(3-chlorocyclohexyl)-N-[(2-chlorophenyl)methyl]methanamine?
The InChIKey is FOMHKOVSIWQCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c15-13-6-3-4-11(8-13)9-17-10-12-5-1-2-7-14(12)16/h1-2,5,7,11,13,17H,3-4,6,8-10H2.
What are the key properties of 1-(3-chlorocyclohexyl)-N-[(2-chlorophenyl)methyl]methanamine?
1-(3-chlorocyclohexyl)-N-[(2-chlorophenyl)methyl]methanamine has a molecular weight of 272.22 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorocyclohexyl)-N-[(2-chlorophenyl)methyl]methanamine is sourced from PubChem (CID 106122381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).