(R)-(2-chloro-6-methylphenyl)-cyclohexylmethanamine;hydrochloride

C14H21Cl2N — CID 171210736

IUPAC(R)-(2-chloro-6-methylphenyl)-cyclohexylmethanamine;hydrochloride
SMILESCc1cccc(Cl)c1[C@H](N)C1CCCCC1.Cl
InChIInChI=1S/C14H20ClN.ClH/c1-10-6-5-9-12(15)13(10)14(16)11-7-3-2-4-8-11;/h5-6,9,11,14H,2-4,7-8,16H2,1H3;1H/t14-;/m1./s1
InChIKeyVYMISYGKWQPQPZ-PFEQFJNWSA-N
MW274.23 g/mol
LogP4.65
Rot. Bonds2

About (R)-(2-chloro-6-methylphenyl)-cyclohexylmethanamine;hydrochloride

(R)-(2-chloro-6-methylphenyl)-cyclohexylmethanamine;hydrochloride (PubChem CID 171210736) has the molecular formula C14H21Cl2N and a molecular weight of 274.23 g/mol. Its IUPAC name is (R)-(2-chloro-6-methylphenyl)-cyclohexylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(2-chloro-6-methylphenyl)-cyclohexylmethanamine;hydrochloride
PubChem CID171210736
Molecular FormulaC14H21Cl2N
Molecular Weight274.23 g/mol
Exact Mass273.11
IUPAC Name(R)-(2-chloro-6-methylphenyl)-cyclohexylmethanamine;hydrochloride
SMILESCc1cccc(Cl)c1[C@H](N)C1CCCCC1.Cl
InChIInChI=1S/C14H20ClN.ClH/c1-10-6-5-9-12(15)13(10)14(16)11-7-3-2-4-8-11;/h5-6,9,11,14H,2-4,7-8,16H2,1H3;1H/t14-;/m1./s1
InChIKeyVYMISYGKWQPQPZ-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 ≤ 500274.23
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-(2-chloro-6-methylphenyl)-cyclopropylmethanamine
CID 131023837
(R)-cyclopentyl-(2,6-dichlorophenyl)methanamine
CID 171197935
(S)-cyclobutyl-(2,6-dichlorophenyl)methanamine
CID 130683085
(R)-cyclobutyl-(2,6-dimethylphenyl)methanamine
CID 130619614
(S)-cyclobutyl-(2,6-dimethylphenyl)methanamine
CID 131151319
(S)-(6-chloro-2-fluoro-3-methylphenyl)-cyclohexylmethanamine;hydrochloride
CID 171228747
cyclopropyl-(2,6-dichlorophenyl)methanamine;hydrochloride
CID 119031584
(S)-[2-chloro-6-(trifluoromethyl)phenyl]-cyclohexylmethanamine
CID 171227177
(R)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine;hydrochloride
CID 171204433
(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethylphenyl)ethanol;hydrochloride
CID 171267921
(2-bromo-6-chlorophenyl)-cyclobutylmethanamine
CID 130166021
(S)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine
CID 171224008

Frequently Asked Questions

What is the IUPAC name of (R)-(2-chloro-6-methylphenyl)-cyclohexylmethanamine;hydrochloride?
The IUPAC name of (R)-(2-chloro-6-methylphenyl)-cyclohexylmethanamine;hydrochloride (CID 171210736) is (R)-(2-chloro-6-methylphenyl)-cyclohexylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(2-chloro-6-methylphenyl)-cyclohexylmethanamine;hydrochloride?
The canonical SMILES for (R)-(2-chloro-6-methylphenyl)-cyclohexylmethanamine;hydrochloride is Cc1cccc(Cl)c1[C@H](N)C1CCCCC1.Cl.
What is the InChIKey of (R)-(2-chloro-6-methylphenyl)-cyclohexylmethanamine;hydrochloride?
The InChIKey is VYMISYGKWQPQPZ-PFEQFJNWSA-N. The full InChI is InChI=1S/C14H20ClN.ClH/c1-10-6-5-9-12(15)13(10)14(16)11-7-3-2-4-8-11;/h5-6,9,11,14H,2-4,7-8,16H2,1H3;1H/t14-;/m1./s1.
What are the key properties of (R)-(2-chloro-6-methylphenyl)-cyclohexylmethanamine;hydrochloride?
(R)-(2-chloro-6-methylphenyl)-cyclohexylmethanamine;hydrochloride has a molecular weight of 274.23 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)-(2-chloro-6-methylphenyl)-cyclohexylmethanamine;hydrochloride is sourced from PubChem (CID 171210736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).