1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-3-methylbutan-1-amine

C15H21ClFN — CID 137333011

IUPAC1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-3-methylbutan-1-amine
SMILESCC(C)CC(N)C1(c2ccc(F)c(Cl)c2)CCC1
InChIInChI=1S/C15H21ClFN/c1-10(2)8-14(18)15(6-3-7-15)11-4-5-13(17)12(16)9-11/h4-5,9-10,14H,3,6-8,18H2,1-2H3
InChIKeyCRNHQONDYATTCM-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.27
Rot. Bonds4

About 1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-3-methylbutan-1-amine

1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-3-methylbutan-1-amine (PubChem CID 137333011) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is 1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-3-methylbutan-1-amine
PubChem CID137333011
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-3-methylbutan-1-amine
SMILESCC(C)CC(N)C1(c2ccc(F)c(Cl)c2)CCC1
InChIInChI=1S/C15H21ClFN/c1-10(2)8-14(18)15(6-3-7-15)11-4-5-13(17)12(16)9-11/h4-5,9-10,14H,3,6-8,18H2,1-2H3
InChIKeyCRNHQONDYATTCM-UHFFFAOYSA-N
XLogP4.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-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

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-3-methylbutan-1-amine?
The IUPAC name of 1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-3-methylbutan-1-amine (CID 137333011) is 1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-3-methylbutan-1-amine.
What is the SMILES notation for 1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-3-methylbutan-1-amine?
The canonical SMILES for 1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-3-methylbutan-1-amine is CC(C)CC(N)C1(c2ccc(F)c(Cl)c2)CCC1.
What is the InChIKey of 1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-3-methylbutan-1-amine?
The InChIKey is CRNHQONDYATTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-10(2)8-14(18)15(6-3-7-15)11-4-5-13(17)12(16)9-11/h4-5,9-10,14H,3,6-8,18H2,1-2H3.
What are the key properties of 1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-3-methylbutan-1-amine?
1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-3-methylbutan-1-amine has a molecular weight of 269.79 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-3-methylbutan-1-amine is sourced from PubChem (CID 137333011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).