N-[(2-chlorophenyl)methyl]-2-methylcyclohexan-1-amine

C14H20ClN — CID 43079937

IUPACN-[(2-chlorophenyl)methyl]-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1NCc1ccccc1Cl
InChIInChI=1S/C14H20ClN/c1-11-6-2-5-9-14(11)16-10-12-7-3-4-8-13(12)15/h3-4,7-8,11,14,16H,2,5-6,9-10H2,1H3
InChIKeyGVUQTVGHJNOATI-UHFFFAOYSA-N
MW237.77 g/mol
LogP4.01
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-2-methylcyclohexan-1-amine

N-[(2-chlorophenyl)methyl]-2-methylcyclohexan-1-amine (PubChem CID 43079937) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-methylcyclohexan-1-amine
PubChem CID43079937
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC NameN-[(2-chlorophenyl)methyl]-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1NCc1ccccc1Cl
InChIInChI=1S/C14H20ClN/c1-11-6-2-5-9-14(11)16-10-12-7-3-4-8-13(12)15/h3-4,7-8,11,14,16H,2,5-6,9-10H2,1H3
InChIKeyGVUQTVGHJNOATI-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43078350
2-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine
CID 43081283
N-[(2-chlorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 62397679
N-[(2,6-dichlorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 63277735
2-(2-chlorophenyl)-N-(2-methylcyclohexyl)acetamide
CID 51166113
N-[(2-chlorophenyl)methyl]-2-methyloxolan-3-amine
CID 75525158
trans-(1R,2R)-1-N,2-N-bis[(2-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 15739492
2-[[[(2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol
CID 138615280
N-[(2,3-difluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 63277681
N-[(5-chloroquinolin-8-yl)methyl]-2-methylcyclohexan-1-amine
CID 115958999
N-(1,3-benzodioxol-4-ylmethyl)-2-methylcyclohexan-1-amine
CID 43583510
1-[(2-chlorophenyl)methyl]-1-methyl-3-[(1S,2S)-2-methylcyclohexyl]thiourea
CID 8786087

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-methylcyclohexan-1-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-methylcyclohexan-1-amine (CID 43079937) is N-[(2-chlorophenyl)methyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-methylcyclohexan-1-amine is CC1CCCCC1NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-methylcyclohexan-1-amine?
The InChIKey is GVUQTVGHJNOATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-11-6-2-5-9-14(11)16-10-12-7-3-4-8-13(12)15/h3-4,7-8,11,14,16H,2,5-6,9-10H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-methylcyclohexan-1-amine?
N-[(2-chlorophenyl)methyl]-2-methylcyclohexan-1-amine has a molecular weight of 237.77 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 43079937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).