(R)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine;hydrochloride

C14H21Cl2N — CID 171204433

IUPAC(R)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine;hydrochloride
SMILESCc1ccc([C@H](N)C2CCCCC2)cc1Cl.Cl
InChIInChI=1S/C14H20ClN.ClH/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;1H/t14-;/m1./s1
InChIKeyJYOPJRBSOHMFIR-PFEQFJNWSA-N
MW274.24 g/mol
LogP4.65
Rot. Bonds2

About (R)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine;hydrochloride

(R)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine;hydrochloride (PubChem CID 171204433) has the molecular formula C14H21Cl2N and a molecular weight of 274.24 g/mol. Its IUPAC name is (R)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine;hydrochloride
PubChem CID171204433
Molecular FormulaC14H21Cl2N
Molecular Weight274.24 g/mol
Exact Mass273.11
IUPAC Name(R)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine;hydrochloride
SMILESCc1ccc([C@H](N)C2CCCCC2)cc1Cl.Cl
InChIInChI=1S/C14H20ClN.ClH/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;1H/t14-;/m1./s1
InChIKeyJYOPJRBSOHMFIR-PFEQFJNWSA-N
XLogP4.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine
CID 171224008
(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
(S)-(6-chloro-2-fluoro-3-methylphenyl)-cyclohexylmethanamine;hydrochloride
CID 171228747
(S)-(3-bromo-4-chlorophenyl)-cyclohexylmethanamine
CID 171222570
(S)-(3-bromo-4-chlorophenyl)-cyclopentylmethanamine;hydrochloride
CID 171222569
1-(3-chloro-4-methylphenyl)-2-cyclopropylpropan-1-amine
CID 107561849
(S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine
CID 39244944
4-[(R)-amino(cyclopentyl)methyl]-2-methylphenol;hydrochloride
CID 171213118

Frequently Asked Questions

What is the IUPAC name of (R)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine;hydrochloride?
The IUPAC name of (R)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine;hydrochloride (CID 171204433) is (R)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine;hydrochloride?
The canonical SMILES for (R)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine;hydrochloride is Cc1ccc([C@H](N)C2CCCCC2)cc1Cl.Cl.
What is the InChIKey of (R)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine;hydrochloride?
The InChIKey is JYOPJRBSOHMFIR-PFEQFJNWSA-N. The full InChI is InChI=1S/C14H20ClN.ClH/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;1H/t14-;/m1./s1.
What are the key properties of (R)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine;hydrochloride?
(R)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine;hydrochloride has a molecular weight of 274.24 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine;hydrochloride is sourced from PubChem (CID 171204433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).