1-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-amine

C11H15ClFN — CID 117307518

IUPAC1-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-amine
SMILESCCc1cc(CC(C)N)cc(Cl)c1F
InChIInChI=1S/C11H15ClFN/c1-3-9-5-8(4-7(2)14)6-10(12)11(9)13/h5-7H,3-4,14H2,1-2H3
InChIKeyBZDIIFHVXOXEOU-UHFFFAOYSA-N
MW215.70 g/mol
LogP2.93
Rot. Bonds3

About 1-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-amine

1-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-amine (PubChem CID 117307518) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is 1-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-amine
PubChem CID117307518
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name1-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-amine
SMILESCCc1cc(CC(C)N)cc(Cl)c1F
InChIInChI=1S/C11H15ClFN/c1-3-9-5-8(4-7(2)14)6-10(12)11(9)13/h5-7H,3-4,14H2,1-2H3
InChIKeyBZDIIFHVXOXEOU-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-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

1-(3-chloro-5-ethyl-4-methoxyphenyl)propan-2-amine;hydrochloride
CID 170894010
1-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine
CID 117290522
1-(3-ethyl-4-fluorophenyl)propan-2-amine
CID 117278913
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568
1-(3,5-diethylphenyl)propan-2-amine
CID 89151749
(2R)-1-(3,4-diethylphenyl)propan-2-amine
CID 139743643
1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine
CID 117372462
1-(3-chloro-5-fluoro-4-methoxyphenyl)propan-2-amine
CID 117310361
2-amino-2-(3-chloro-5-ethyl-4-fluorophenyl)ethanol
CID 117310399
1-(3-chloro-5-ethyl-4-fluorophenyl)ethanone
CID 117289595
1-[(3-chloro-5-ethyl-4-fluorophenyl)methyl]piperazine
CID 117395460
1-(5-chloro-2,4-difluorophenyl)propan-2-amine
CID 117294361

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-amine (CID 117307518) is 1-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-amine is CCc1cc(CC(C)N)cc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-amine?
The InChIKey is BZDIIFHVXOXEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-3-9-5-8(4-7(2)14)6-10(12)11(9)13/h5-7H,3-4,14H2,1-2H3.
What are the key properties of 1-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-amine?
1-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-amine has a molecular weight of 215.70 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 1-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 117307518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).