4-[(R)-amino(cyclohexyl)methyl]-3-chloro-N,N-dimethylaniline;hydrochloride

C15H24Cl2N2 — CID 171212641

IUPAC4-[(R)-amino(cyclohexyl)methyl]-3-chloro-N,N-dimethylaniline;hydrochloride
SMILESCN(C)c1ccc([C@H](N)C2CCCCC2)c(Cl)c1.Cl
InChIInChI=1S/C15H23ClN2.ClH/c1-18(2)12-8-9-13(14(16)10-12)15(17)11-6-4-3-5-7-11;/h8-11,15H,3-7,17H2,1-2H3;1H/t15-;/m1./s1
InChIKeyONDKBWILIWMRPE-XFULWGLBSA-N
MW303.28 g/mol
LogP4.41
Rot. Bonds3

About 4-[(R)-amino(cyclohexyl)methyl]-3-chloro-N,N-dimethylaniline;hydrochloride

4-[(R)-amino(cyclohexyl)methyl]-3-chloro-N,N-dimethylaniline;hydrochloride (PubChem CID 171212641) has the molecular formula C15H24Cl2N2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 4-[(R)-amino(cyclohexyl)methyl]-3-chloro-N,N-dimethylaniline;hydrochloride.

Molecular Properties

Compound Name4-[(R)-amino(cyclohexyl)methyl]-3-chloro-N,N-dimethylaniline;hydrochloride
PubChem CID171212641
Molecular FormulaC15H24Cl2N2
Molecular Weight303.28 g/mol
Exact Mass302.13
IUPAC Name4-[(R)-amino(cyclohexyl)methyl]-3-chloro-N,N-dimethylaniline;hydrochloride
SMILESCN(C)c1ccc([C@H](N)C2CCCCC2)c(Cl)c1.Cl
InChIInChI=1S/C15H23ClN2.ClH/c1-18(2)12-8-9-13(14(16)10-12)15(17)11-6-4-3-5-7-11;/h8-11,15H,3-7,17H2,1-2H3;1H/t15-;/m1./s1
InChIKeyONDKBWILIWMRPE-XFULWGLBSA-N
XLogP4.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4-methylphenyl)-cycloheptylmethanamine
CID 106858433
(1S,2R)-2-amino-2-[2-chloro-4-(dimethylamino)phenyl]-1-cyclopropylethanol;hydrochloride
CID 171264677
(S)-(4-bromo-2-chlorophenyl)-cyclohexylmethanamine
CID 171223645
4-[(1R)-1-amino-2-cyclopropylethyl]-3-chloro-N,N-dimethylaniline
CID 171212628
(S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine
CID 99737681
(R)-cyclopropyl-(2,4-dichlorophenyl)methanamine;hydrochloride
CID 171212549
(R)-(4-bromo-2-chlorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171204069
(2-chloro-4,5-dimethylphenyl)-cyclohexylmethanamine
CID 113319426
(2-chloro-4-methylphenyl)-cyclopropylmethanamine
CID 55268482
(R)-(2-chlorophenyl)-cyclopentylmethanamine
CID 91256846
(R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171202097
(S)-(4-chloro-2-methylphenyl)-cyclopentylmethanamine
CID 131595762

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-amino(cyclohexyl)methyl]-3-chloro-N,N-dimethylaniline;hydrochloride?
The IUPAC name of 4-[(R)-amino(cyclohexyl)methyl]-3-chloro-N,N-dimethylaniline;hydrochloride (CID 171212641) is 4-[(R)-amino(cyclohexyl)methyl]-3-chloro-N,N-dimethylaniline;hydrochloride.
What is the SMILES notation for 4-[(R)-amino(cyclohexyl)methyl]-3-chloro-N,N-dimethylaniline;hydrochloride?
The canonical SMILES for 4-[(R)-amino(cyclohexyl)methyl]-3-chloro-N,N-dimethylaniline;hydrochloride is CN(C)c1ccc([C@H](N)C2CCCCC2)c(Cl)c1.Cl.
What is the InChIKey of 4-[(R)-amino(cyclohexyl)methyl]-3-chloro-N,N-dimethylaniline;hydrochloride?
The InChIKey is ONDKBWILIWMRPE-XFULWGLBSA-N. The full InChI is InChI=1S/C15H23ClN2.ClH/c1-18(2)12-8-9-13(14(16)10-12)15(17)11-6-4-3-5-7-11;/h8-11,15H,3-7,17H2,1-2H3;1H/t15-;/m1./s1.
What are the key properties of 4-[(R)-amino(cyclohexyl)methyl]-3-chloro-N,N-dimethylaniline;hydrochloride?
4-[(R)-amino(cyclohexyl)methyl]-3-chloro-N,N-dimethylaniline;hydrochloride has a molecular weight of 303.28 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-amino(cyclohexyl)methyl]-3-chloro-N,N-dimethylaniline;hydrochloride is sourced from PubChem (CID 171212641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).