1-(2-chloro-4-fluorophenyl)-3-methylbutan-1-amine

C11H15ClFN — CID 62945198

IUPAC1-(2-chloro-4-fluorophenyl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1ccc(F)cc1Cl
InChIInChI=1S/C11H15ClFN/c1-7(2)5-11(14)9-4-3-8(13)6-10(9)12/h3-4,6-7,11H,5,14H2,1-2H3
InChIKeyRYQJUALRLYDHSH-UHFFFAOYSA-N
MW215.70 g/mol
LogP3.53
Rot. Bonds3

About 1-(2-chloro-4-fluorophenyl)-3-methylbutan-1-amine

1-(2-chloro-4-fluorophenyl)-3-methylbutan-1-amine (PubChem CID 62945198) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-3-methylbutan-1-amine
PubChem CID62945198
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name1-(2-chloro-4-fluorophenyl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1ccc(F)cc1Cl
InChIInChI=1S/C11H15ClFN/c1-7(2)5-11(14)9-4-3-8(13)6-10(9)12/h3-4,6-7,11H,5,14H2,1-2H3
InChIKeyRYQJUALRLYDHSH-UHFFFAOYSA-N
XLogP3.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-chloro-4-fluorophenyl)-3-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(2-chloro-5-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171204622
(1S)-1-(2-chloro-4-methylphenyl)-3-methylbutan-1-amine
CID 99737671
1-(4-fluoro-2-methylphenyl)-3-methylbutan-1-amine
CID 62791857
1-(2-chloro-4-fluorophenyl)ethane-1,2-diamine
CID 55270283
1-(2-chloro-4-fluorophenyl)ethanamine
CID 18542888
(1S)-1-(2-chloro-4-fluorophenyl)hexan-1-amine
CID 171223780
1-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 63419710
1-(2-chloro-4-fluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 103693361
2-(2-chloro-4-fluorophenyl)propan-1-amine
CID 66438470
2-(2-chloro-4-fluorophenyl)pentan-3-amine
CID 79308367
(1R)-1-(2-chloro-4-fluorophenyl)pentane-1,5-diamine
CID 171204201
1-(2-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)ethanamine
CID 55152610

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-methylbutan-1-amine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-methylbutan-1-amine (CID 62945198) is 1-(2-chloro-4-fluorophenyl)-3-methylbutan-1-amine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-3-methylbutan-1-amine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-3-methylbutan-1-amine is CC(C)CC(N)c1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-3-methylbutan-1-amine?
The InChIKey is RYQJUALRLYDHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-7(2)5-11(14)9-4-3-8(13)6-10(9)12/h3-4,6-7,11H,5,14H2,1-2H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-3-methylbutan-1-amine?
1-(2-chloro-4-fluorophenyl)-3-methylbutan-1-amine has a molecular weight of 215.70 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-3-methylbutan-1-amine is sourced from PubChem (CID 62945198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).