(1R)-1-(4-chloro-2-methylphenyl)propan-1-amine;hydrochloride

C10H15Cl2N — CID 171211834

IUPAC(1R)-1-(4-chloro-2-methylphenyl)propan-1-amine;hydrochloride
SMILESCC[C@@H](N)c1ccc(Cl)cc1C.Cl
InChIInChI=1S/C10H14ClN.ClH/c1-3-10(12)9-5-4-8(11)6-7(9)2;/h4-6,10H,3,12H2,1-2H3;1H/t10-;/m1./s1
InChIKeyOCEOQYDZXSNOGN-HNCPQSOCSA-N
MW220.14 g/mol
LogP3.48
Rot. Bonds2

About (1R)-1-(4-chloro-2-methylphenyl)propan-1-amine;hydrochloride

(1R)-1-(4-chloro-2-methylphenyl)propan-1-amine;hydrochloride (PubChem CID 171211834) has the molecular formula C10H15Cl2N and a molecular weight of 220.14 g/mol. Its IUPAC name is (1R)-1-(4-chloro-2-methylphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-chloro-2-methylphenyl)propan-1-amine;hydrochloride
PubChem CID171211834
Molecular FormulaC10H15Cl2N
Molecular Weight220.14 g/mol
Exact Mass219.06
IUPAC Name(1R)-1-(4-chloro-2-methylphenyl)propan-1-amine;hydrochloride
SMILESCC[C@@H](N)c1ccc(Cl)cc1C.Cl
InChIInChI=1S/C10H14ClN.ClH/c1-3-10(12)9-5-4-8(11)6-7(9)2;/h4-6,10H,3,12H2,1-2H3;1H/t10-;/m1./s1
InChIKeyOCEOQYDZXSNOGN-HNCPQSOCSA-N
XLogP3.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.14
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(4-chloro-2-methylphenyl)-2-fluoroethanamine
CID 124706908
(1R)-1-(4-chloro-2-methylphenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313878
(1R)-1-(4-chloro-2-fluorophenyl)propan-1-amine
CID 58878078
(1R)-1-(4-chloro-2-methylphenyl)-2-methylbutan-1-amine
CID 130804178
(3S)-3-amino-3-(4-chloro-2-methylphenyl)propan-1-ol
CID 131144923
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
(1S)-1-(2,5-dichlorophenyl)propan-1-amine
CID 26342063
(1S)-1-(4-chloro-2-methylphenyl)-2-cyclopropylethanamine
CID 131029260
1-(4-fluoro-2-methylphenyl)propan-1-amine
CID 62790852
(1R)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 168719792
(1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 171233415
1-(4-chloro-2-methylphenyl)ethanamine;ethane
CID 143031606

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chloro-2-methylphenyl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(4-chloro-2-methylphenyl)propan-1-amine;hydrochloride (CID 171211834) is (1R)-1-(4-chloro-2-methylphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(4-chloro-2-methylphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(4-chloro-2-methylphenyl)propan-1-amine;hydrochloride is CC[C@@H](N)c1ccc(Cl)cc1C.Cl.
What is the InChIKey of (1R)-1-(4-chloro-2-methylphenyl)propan-1-amine;hydrochloride?
The InChIKey is OCEOQYDZXSNOGN-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H14ClN.ClH/c1-3-10(12)9-5-4-8(11)6-7(9)2;/h4-6,10H,3,12H2,1-2H3;1H/t10-;/m1./s1.
What are the key properties of (1R)-1-(4-chloro-2-methylphenyl)propan-1-amine;hydrochloride?
(1R)-1-(4-chloro-2-methylphenyl)propan-1-amine;hydrochloride has a molecular weight of 220.14 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chloro-2-methylphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171211834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).