(1S)-1-(4-chloro-3-methylphenyl)pentan-1-amine

C12H18ClN — CID 171231485

IUPAC(1S)-1-(4-chloro-3-methylphenyl)pentan-1-amine
SMILESCCCC[C@H](N)c1ccc(Cl)c(C)c1
InChIInChI=1S/C12H18ClN/c1-3-4-5-12(14)10-6-7-11(13)9(2)8-10/h6-8,12H,3-5,14H2,1-2H3/t12-/m0/s1
InChIKeyOXRMFJJUNSMRQJ-LBPRGKRZSA-N
MW211.74 g/mol
LogP3.84
Rot. Bonds4

About (1S)-1-(4-chloro-3-methylphenyl)pentan-1-amine

(1S)-1-(4-chloro-3-methylphenyl)pentan-1-amine (PubChem CID 171231485) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is (1S)-1-(4-chloro-3-methylphenyl)pentan-1-amine.

Molecular Properties

Compound Name(1S)-1-(4-chloro-3-methylphenyl)pentan-1-amine
PubChem CID171231485
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name(1S)-1-(4-chloro-3-methylphenyl)pentan-1-amine
SMILESCCCC[C@H](N)c1ccc(Cl)c(C)c1
InChIInChI=1S/C12H18ClN/c1-3-4-5-12(14)10-6-7-11(13)9(2)8-10/h6-8,12H,3-5,14H2,1-2H3/t12-/m0/s1
InChIKeyOXRMFJJUNSMRQJ-LBPRGKRZSA-N
XLogP3.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-3-methylphenyl)propan-1-amine
CID 15594744
(1S)-1-(3-bromo-4-chlorophenyl)pentan-1-amine
CID 171222556
1-(4-chloro-3-methylphenyl)ethane-1,2-diamine
CID 55274034
4-[(1S)-1-aminopentyl]-2-methylphenol
CID 171145513
1-(4-chloro-3-methylphenyl)-N-methylpentan-1-amine
CID 115832927
1-(4-chloro-3-methylphenyl)hexan-1-ol
CID 115784456
(1R)-1-(4-chloro-3-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171211117
(1R)-1-(3,4-dimethylphenyl)hexan-1-amine;hydrochloride
CID 171200481
1-(4-chloro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828896
1-(4-chloro-3-methylphenyl)nonan-1-ol
CID 115784046
(1S)-1-(3-bromo-4-chlorophenyl)hexan-1-amine;hydrochloride
CID 171222559
1-(3-chloro-4-methoxyphenyl)pentan-1-amine
CID 43130948

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-chloro-3-methylphenyl)pentan-1-amine?
The IUPAC name of (1S)-1-(4-chloro-3-methylphenyl)pentan-1-amine (CID 171231485) is (1S)-1-(4-chloro-3-methylphenyl)pentan-1-amine.
What is the SMILES notation for (1S)-1-(4-chloro-3-methylphenyl)pentan-1-amine?
The canonical SMILES for (1S)-1-(4-chloro-3-methylphenyl)pentan-1-amine is CCCC[C@H](N)c1ccc(Cl)c(C)c1.
What is the InChIKey of (1S)-1-(4-chloro-3-methylphenyl)pentan-1-amine?
The InChIKey is OXRMFJJUNSMRQJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18ClN/c1-3-4-5-12(14)10-6-7-11(13)9(2)8-10/h6-8,12H,3-5,14H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-(4-chloro-3-methylphenyl)pentan-1-amine?
(1S)-1-(4-chloro-3-methylphenyl)pentan-1-amine has a molecular weight of 211.74 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-chloro-3-methylphenyl)pentan-1-amine is sourced from PubChem (CID 171231485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).