1-(4-chlorophenyl)-3-methylbutan-2-amine

C11H16ClN — CID 50986534

IUPAC1-(4-chlorophenyl)-3-methylbutan-2-amine
SMILESCC(C)C(N)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClN/c1-8(2)11(13)7-9-3-5-10(12)6-4-9/h3-6,8,11H,7,13H2,1-2H3
InChIKeyAIJIRICRIUMVSU-UHFFFAOYSA-N
MW197.71 g/mol
LogP2.87
Rot. Bonds3

About 1-(4-chlorophenyl)-3-methylbutan-2-amine

1-(4-chlorophenyl)-3-methylbutan-2-amine (PubChem CID 50986534) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-methylbutan-2-amine
PubChem CID50986534
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name1-(4-chlorophenyl)-3-methylbutan-2-amine
SMILESCC(C)C(N)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClN/c1-8(2)11(13)7-9-3-5-10(12)6-4-9/h3-6,8,11H,7,13H2,1-2H3
InChIKeyAIJIRICRIUMVSU-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)propan-2-amine
CID 3127
3-(4-chlorophenyl)-1,1-difluoropropan-2-amine
CID 84673763
1-(4-chloro-3-fluorophenyl)-3-methylbutan-2-amine
CID 115347398
(2R)-3-methyl-1-phenylbutan-2-amine
CID 11390020
3-(4-chlorophenyl)-1,1-diethoxypropan-2-amine
CID 79496455
4-(2-amino-3-methylbutyl)-N,N-dimethylaniline
CID 115347408
4-(4-chlorophenyl)-3-fluorobutan-2-amine
CID 105454010
1-(4-chlorophenyl)-3-methylbutan-2-ol
CID 60797754
1-(3-bromo-4-chlorophenyl)-3-methylbutan-2-amine
CID 83230541
[(2R)-1-(4-chlorophenyl)propan-2-yl]azanium
CID 6927062
1-[4-[4-(4-chlorophenoxy)phenoxy]phenyl]propan-2-amine
CID 143625777
3-amino-4-(4-chlorophenyl)-2-hydroxybutanamide
CID 66719941

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-methylbutan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-3-methylbutan-2-amine (CID 50986534) is 1-(4-chlorophenyl)-3-methylbutan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-3-methylbutan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-3-methylbutan-2-amine is CC(C)C(N)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-methylbutan-2-amine?
The InChIKey is AIJIRICRIUMVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN/c1-8(2)11(13)7-9-3-5-10(12)6-4-9/h3-6,8,11H,7,13H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-3-methylbutan-2-amine?
1-(4-chlorophenyl)-3-methylbutan-2-amine has a molecular weight of 197.71 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-methylbutan-2-amine is sourced from PubChem (CID 50986534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).