5-(2-chlorophenyl)-4-methylpentan-2-amine

C12H18ClN — CID 64719849

IUPAC5-(2-chlorophenyl)-4-methylpentan-2-amine
SMILESCC(N)CC(C)Cc1ccccc1Cl
InChIInChI=1S/C12H18ClN/c1-9(7-10(2)14)8-11-5-3-4-6-12(11)13/h3-6,9-10H,7-8,14H2,1-2H3
InChIKeyXLZSJXPWGBQLNM-UHFFFAOYSA-N
MW211.74 g/mol
LogP3.26
Rot. Bonds4

About 5-(2-chlorophenyl)-4-methylpentan-2-amine

5-(2-chlorophenyl)-4-methylpentan-2-amine (PubChem CID 64719849) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-4-methylpentan-2-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-4-methylpentan-2-amine
PubChem CID64719849
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name5-(2-chlorophenyl)-4-methylpentan-2-amine
SMILESCC(N)CC(C)Cc1ccccc1Cl
InChIInChI=1S/C12H18ClN/c1-9(7-10(2)14)8-11-5-3-4-6-12(11)13/h3-6,9-10H,7-8,14H2,1-2H3
InChIKeyXLZSJXPWGBQLNM-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,5S)-3-amino-6-(2-chlorophenyl)-2,5-dimethylhexanoic acid
CID 151733569
3-amino-6-(2-chlorophenyl)-2,5-dimethylhexanoic acid
CID 151733570
5-(2-chloro-4-methylphenyl)-4-methylpentan-2-amine
CID 106870188
5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine
CID 64721399
2-(2-chlorophenyl)-1-(2,3,4,5,6-pentamethylphenyl)ethanamine
CID 43110651
1-chloro-2-(2,3-dimethylbutyl)benzene
CID 123440272
(2S)-1-(2-chlorophenyl)pentan-2-amine
CID 104932386
2-(2-chlorophenyl)-1-(2,3,5,6-tetramethylphenyl)ethanamine
CID 43103860
4-(2-chlorophenyl)-3-(4-chlorophenyl)butan-2-amine
CID 19073641
3-(2-chlorophenyl)-1,1-dimethoxypropan-2-amine
CID 79492735
2-(2-chlorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 79217518
(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpentanamide
CID 61156026

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-4-methylpentan-2-amine?
The IUPAC name of 5-(2-chlorophenyl)-4-methylpentan-2-amine (CID 64719849) is 5-(2-chlorophenyl)-4-methylpentan-2-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-4-methylpentan-2-amine?
The canonical SMILES for 5-(2-chlorophenyl)-4-methylpentan-2-amine is CC(N)CC(C)Cc1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-4-methylpentan-2-amine?
The InChIKey is XLZSJXPWGBQLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN/c1-9(7-10(2)14)8-11-5-3-4-6-12(11)13/h3-6,9-10H,7-8,14H2,1-2H3.
What are the key properties of 5-(2-chlorophenyl)-4-methylpentan-2-amine?
5-(2-chlorophenyl)-4-methylpentan-2-amine has a molecular weight of 211.74 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-4-methylpentan-2-amine is sourced from PubChem (CID 64719849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).