(R)-cyclohexyl-(3,4-dimethylphenyl)methanamine;hydrochloride

C15H24ClN — CID 171200491

IUPAC(R)-cyclohexyl-(3,4-dimethylphenyl)methanamine;hydrochloride
SMILESCc1ccc([C@H](N)C2CCCCC2)cc1C.Cl
InChIInChI=1S/C15H23N.ClH/c1-11-8-9-14(10-12(11)2)15(16)13-6-4-3-5-7-13;/h8-10,13,15H,3-7,16H2,1-2H3;1H/t15-;/m1./s1
InChIKeyONAPRVSRWWLTMM-XFULWGLBSA-N
MW253.82 g/mol
LogP4.31
Rot. Bonds2

About (R)-cyclohexyl-(3,4-dimethylphenyl)methanamine;hydrochloride

(R)-cyclohexyl-(3,4-dimethylphenyl)methanamine;hydrochloride (PubChem CID 171200491) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is (R)-cyclohexyl-(3,4-dimethylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-cyclohexyl-(3,4-dimethylphenyl)methanamine;hydrochloride
PubChem CID171200491
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name(R)-cyclohexyl-(3,4-dimethylphenyl)methanamine;hydrochloride
SMILESCc1ccc([C@H](N)C2CCCCC2)cc1C.Cl
InChIInChI=1S/C15H23N.ClH/c1-11-8-9-14(10-12(11)2)15(16)13-6-4-3-5-7-13;/h8-10,13,15H,3-7,16H2,1-2H3;1H/t15-;/m1./s1
InChIKeyONAPRVSRWWLTMM-XFULWGLBSA-N
XLogP4.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine;hydrochloride
CID 171204433
(S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine
CID 39244944
(S)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine
CID 171224008
4-[(R)-amino(cyclopentyl)methyl]-2-methylphenol;hydrochloride
CID 171213118
(3,4-dimethylphenyl)-(4-methylcyclohexyl)methanamine
CID 62549202
(S)-(3-chloro-4-methylphenyl)-cyclopentylmethanamine
CID 131581688
(S)-(3,4-dimethylphenyl)-(oxan-4-yl)methanamine
CID 94891825
(R)-cyclobutyl-(4-methoxy-3-methylphenyl)methanamine;hydrochloride
CID 171213709
(S)-(3-chloro-4-methylphenyl)-cyclobutylmethanamine;hydrochloride
CID 171224005
(4,4-difluorocyclohexyl)-(3,4-dimethylphenyl)methanamine
CID 105140363
cyclopentyl-(3-methyl-4-propan-2-yloxyphenyl)methanamine
CID 82296047
cyclohexyl-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 65299040

Frequently Asked Questions

What is the IUPAC name of (R)-cyclohexyl-(3,4-dimethylphenyl)methanamine;hydrochloride?
The IUPAC name of (R)-cyclohexyl-(3,4-dimethylphenyl)methanamine;hydrochloride (CID 171200491) is (R)-cyclohexyl-(3,4-dimethylphenyl)methanamine;hydrochloride.
What is the SMILES notation for (R)-cyclohexyl-(3,4-dimethylphenyl)methanamine;hydrochloride?
The canonical SMILES for (R)-cyclohexyl-(3,4-dimethylphenyl)methanamine;hydrochloride is Cc1ccc([C@H](N)C2CCCCC2)cc1C.Cl.
What is the InChIKey of (R)-cyclohexyl-(3,4-dimethylphenyl)methanamine;hydrochloride?
The InChIKey is ONAPRVSRWWLTMM-XFULWGLBSA-N. The full InChI is InChI=1S/C15H23N.ClH/c1-11-8-9-14(10-12(11)2)15(16)13-6-4-3-5-7-13;/h8-10,13,15H,3-7,16H2,1-2H3;1H/t15-;/m1./s1.
What are the key properties of (R)-cyclohexyl-(3,4-dimethylphenyl)methanamine;hydrochloride?
(R)-cyclohexyl-(3,4-dimethylphenyl)methanamine;hydrochloride has a molecular weight of 253.82 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclohexyl-(3,4-dimethylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 171200491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).