4-(4-chloro-3-methylphenyl)butan-2-amine

C11H16ClN — CID 130054284

IUPAC4-(4-chloro-3-methylphenyl)butan-2-amine
SMILESCc1cc(CCC(C)N)ccc1Cl
InChIInChI=1S/C11H16ClN/c1-8-7-10(4-3-9(2)13)5-6-11(8)12/h5-7,9H,3-4,13H2,1-2H3
InChIKeyFDCYJCYRYRWAIR-UHFFFAOYSA-N
MW197.71 g/mol
LogP2.93
Rot. Bonds3

About 4-(4-chloro-3-methylphenyl)butan-2-amine

4-(4-chloro-3-methylphenyl)butan-2-amine (PubChem CID 130054284) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenyl)butan-2-amine
PubChem CID130054284
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name4-(4-chloro-3-methylphenyl)butan-2-amine
SMILESCc1cc(CCC(C)N)ccc1Cl
InChIInChI=1S/C11H16ClN/c1-8-7-10(4-3-9(2)13)5-6-11(8)12/h5-7,9H,3-4,13H2,1-2H3
InChIKeyFDCYJCYRYRWAIR-UHFFFAOYSA-N
XLogP2.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-chloro-3-methylphenyl)pentan-2-amine
CID 83937390
(2S)-4-(3,4-dimethylphenyl)butan-2-amine
CID 42077524
1-chloro-2-methyl-4-(3-methylpentyl)benzene
CID 91237561
(2S)-4-(4-chloro-3-iodophenyl)butan-2-amine
CID 130700348
4-(4-chloro-3-iodophenyl)butan-2-amine
CID 130054291
1-(4-chloro-3-methylphenyl)propan-2-amine;ethane
CID 143509041
1-amino-4-(4-chloro-3-methylphenyl)butan-2-ol
CID 83937420
4-[4-(3,4-dichlorophenyl)phenyl]butan-2-amine
CID 82541472
2-(4-chloro-3-methylphenyl)ethanamine;hydrochloride
CID 134085940
1-chloro-4-(2-chloroethyl)-2-methylbenzene
CID 95405218
4-(2-bromoethyl)-1-chloro-2-methylbenzene
CID 70098865
(2R)-4-(6-methylnaphthalen-2-yl)butan-2-amine
CID 163572884

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenyl)butan-2-amine?
The IUPAC name of 4-(4-chloro-3-methylphenyl)butan-2-amine (CID 130054284) is 4-(4-chloro-3-methylphenyl)butan-2-amine.
What is the SMILES notation for 4-(4-chloro-3-methylphenyl)butan-2-amine?
The canonical SMILES for 4-(4-chloro-3-methylphenyl)butan-2-amine is Cc1cc(CCC(C)N)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-methylphenyl)butan-2-amine?
The InChIKey is FDCYJCYRYRWAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN/c1-8-7-10(4-3-9(2)13)5-6-11(8)12/h5-7,9H,3-4,13H2,1-2H3.
What are the key properties of 4-(4-chloro-3-methylphenyl)butan-2-amine?
4-(4-chloro-3-methylphenyl)butan-2-amine has a molecular weight of 197.71 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylphenyl)butan-2-amine is sourced from PubChem (CID 130054284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).