(1S)-1-(4-chloro-2,5-dimethylphenyl)propan-1-amine

C11H16ClN — CID 82758328

IUPAC(1S)-1-(4-chloro-2,5-dimethylphenyl)propan-1-amine
SMILESCC[C@H](N)c1cc(C)c(Cl)cc1C
InChIInChI=1S/C11H16ClN/c1-4-11(13)9-5-8(3)10(12)6-7(9)2/h5-6,11H,4,13H2,1-3H3/t11-/m0/s1
InChIKeyPXIUUNHKOZUOGG-NSHDSACASA-N
MW197.71 g/mol
LogP3.37
Rot. Bonds2

About (1S)-1-(4-chloro-2,5-dimethylphenyl)propan-1-amine

(1S)-1-(4-chloro-2,5-dimethylphenyl)propan-1-amine (PubChem CID 82758328) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is (1S)-1-(4-chloro-2,5-dimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(4-chloro-2,5-dimethylphenyl)propan-1-amine
PubChem CID82758328
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name(1S)-1-(4-chloro-2,5-dimethylphenyl)propan-1-amine
SMILESCC[C@H](N)c1cc(C)c(Cl)cc1C
InChIInChI=1S/C11H16ClN/c1-4-11(13)9-5-8(3)10(12)6-7(9)2/h5-6,11H,4,13H2,1-3H3/t11-/m0/s1
InChIKeyPXIUUNHKOZUOGG-NSHDSACASA-N
XLogP3.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-2,5-dimethylphenyl)propan-1-amine
CID 131007811
(1R)-1-(4-chloro-2-methylphenyl)propan-1-amine;hydrochloride
CID 171211834
(1R)-1-(6-chloro-4-methyl-3-pyridinyl)propan-1-amine
CID 55273612
1-(4-chloro-3-methylphenyl)propan-1-amine
CID 15594744
2-(1-aminobutyl)-5-chloro-4-methylaniline
CID 83987987
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
(3S)-3-amino-3-(4,5-dichloro-2-methylphenyl)propan-1-ol
CID 131011081
3-(4-chloro-2,5-dimethylphenyl)butan-1-amine
CID 84782148
2-chloro-1-(2,4,5-trimethylphenyl)ethanamine
CID 116937565
3-(1-aminopropyl)-4-methylaniline
CID 130000361
(1S)-1-(2,5-dichlorophenyl)propan-1-amine
CID 26342063
1-(2-chloro-4,5-difluorophenyl)propan-1-amine
CID 103693409

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-chloro-2,5-dimethylphenyl)propan-1-amine?
The IUPAC name of (1S)-1-(4-chloro-2,5-dimethylphenyl)propan-1-amine (CID 82758328) is (1S)-1-(4-chloro-2,5-dimethylphenyl)propan-1-amine.
What is the SMILES notation for (1S)-1-(4-chloro-2,5-dimethylphenyl)propan-1-amine?
The canonical SMILES for (1S)-1-(4-chloro-2,5-dimethylphenyl)propan-1-amine is CC[C@H](N)c1cc(C)c(Cl)cc1C.
What is the InChIKey of (1S)-1-(4-chloro-2,5-dimethylphenyl)propan-1-amine?
The InChIKey is PXIUUNHKOZUOGG-NSHDSACASA-N. The full InChI is InChI=1S/C11H16ClN/c1-4-11(13)9-5-8(3)10(12)6-7(9)2/h5-6,11H,4,13H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-(4-chloro-2,5-dimethylphenyl)propan-1-amine?
(1S)-1-(4-chloro-2,5-dimethylphenyl)propan-1-amine has a molecular weight of 197.71 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-chloro-2,5-dimethylphenyl)propan-1-amine is sourced from PubChem (CID 82758328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).