(S)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine

C14H20ClN — CID 171224008

IUPAC(S)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine
SMILESCc1ccc([C@@H](N)C2CCCCC2)cc1Cl
InChIInChI=1S/C14H20ClN/c1-10-7-8-12(9-13(10)15)14(16)11-5-3-2-4-6-11/h7-9,11,14H,2-6,16H2,1H3/t14-/m0/s1
InChIKeyALTPCHJLEWCJAS-AWEZNQCLSA-N
MW237.77 g/mol
LogP4.23
Rot. Bonds2

About (S)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine

(S)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine (PubChem CID 171224008) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is (S)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine.

Molecular Properties

Compound Name(S)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine
PubChem CID171224008
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name(S)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine
SMILESCc1ccc([C@@H](N)C2CCCCC2)cc1Cl
InChIInChI=1S/C14H20ClN/c1-10-7-8-12(9-13(10)15)14(16)11-5-3-2-4-6-11/h7-9,11,14H,2-6,16H2,1H3/t14-/m0/s1
InChIKeyALTPCHJLEWCJAS-AWEZNQCLSA-N
XLogP4.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine;hydrochloride
CID 171204433
(S)-(3-chloro-4-methylphenyl)-cyclopentylmethanamine
CID 131581688
(S)-(3-chloro-4-methylphenyl)-cyclobutylmethanamine;hydrochloride
CID 171224005
(R)-cyclohexyl-(3,4-dimethylphenyl)methanamine;hydrochloride
CID 171200491
(1R,2S)-2-amino-2-(3-chloro-4-methylphenyl)-1-cyclohexylethanol
CID 171267974
(3-chloro-4-fluorophenyl)-cyclohexylmethanamine
CID 63093302
1-(3-chloro-4-methylphenyl)-2-cyclopropylpropan-1-amine
CID 107561849
(S)-(3-bromo-4-chlorophenyl)-cyclohexylmethanamine
CID 171222570
(S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine
CID 39244944
(3-chloro-4-methylphenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105016187
(4-chlorophenyl)-cyclooctylmethanamine
CID 65018889
(4-chlorophenyl)-cyclohexylmethanamine
CID 12559039

Frequently Asked Questions

What is the IUPAC name of (S)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine?
The IUPAC name of (S)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine (CID 171224008) is (S)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine.
What is the SMILES notation for (S)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine?
The canonical SMILES for (S)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine is Cc1ccc([C@@H](N)C2CCCCC2)cc1Cl.
What is the InChIKey of (S)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine?
The InChIKey is ALTPCHJLEWCJAS-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H20ClN/c1-10-7-8-12(9-13(10)15)14(16)11-5-3-2-4-6-11/h7-9,11,14H,2-6,16H2,1H3/t14-/m0/s1.
What are the key properties of (S)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine?
(S)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine has a molecular weight of 237.77 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine is sourced from PubChem (CID 171224008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).