1-[1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropyl]ethanamine

C12H15ClFN — CID 117327900

IUPAC1-[1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropyl]ethanamine
SMILESCC(N)C1(c2cccc(Cl)c2CF)CC1
InChIInChI=1S/C12H15ClFN/c1-8(15)12(5-6-12)10-3-2-4-11(13)9(10)7-14/h2-4,8H,5-7,15H2,1H3
InChIKeyVNPHCAQRPKDHJD-UHFFFAOYSA-N
MW227.71 g/mol
LogP3.19
Rot. Bonds3

About 1-[1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropyl]ethanamine

1-[1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropyl]ethanamine (PubChem CID 117327900) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is 1-[1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropyl]ethanamine
PubChem CID117327900
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name1-[1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropyl]ethanamine
SMILESCC(N)C1(c2cccc(Cl)c2CF)CC1
InChIInChI=1S/C12H15ClFN/c1-8(15)12(5-6-12)10-3-2-4-11(13)9(10)7-14/h2-4,8H,5-7,15H2,1H3
InChIKeyVNPHCAQRPKDHJD-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropyl]ethanamine 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-2-(fluoromethyl)phenyl]cyclopropan-1-ol
CID 117289585
1-[1-[3-chloro-2-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine
CID 117418708
1-[1-(5-bromo-2-chlorophenyl)cyclopropyl]ethanamine
CID 117439047
1-[1-(2-chloro-6-methoxyphenyl)cyclopropyl]ethanamine
CID 117324448
1-[1-(2-bromo-3-fluorophenyl)cyclopropyl]ethanamine
CID 117398469
1-[1-[2-(difluoromethyl)-3-fluorophenyl]cyclopropyl]ethanamine
CID 117330234
1-[1-[2-(2-fluoropropyl)phenyl]cyclopropyl]ethanamine
CID 117316840
1-chloro-2-[1-(1-fluoroethyl)cyclopropyl]benzene
CID 84721034
1-[1-(3-bromo-2-methylphenyl)cyclopropyl]ethanamine
CID 117388142
2-[1-(1-aminoethyl)cyclopropyl]-6-fluoro-N,N-dimethylaniline
CID 117118396
1,3-dichloro-2-[[1-(1-chloroethyl)cyclopropyl]methyl]benzene
CID 106798541
1-[1-[2-(difluoromethylsulfanyl)phenyl]cyclopropyl]ethanamine
CID 117360639

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropyl]ethanamine?
The IUPAC name of 1-[1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropyl]ethanamine (CID 117327900) is 1-[1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropyl]ethanamine is CC(N)C1(c2cccc(Cl)c2CF)CC1.
What is the InChIKey of 1-[1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropyl]ethanamine?
The InChIKey is VNPHCAQRPKDHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c1-8(15)12(5-6-12)10-3-2-4-11(13)9(10)7-14/h2-4,8H,5-7,15H2,1H3.
What are the key properties of 1-[1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropyl]ethanamine?
1-[1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropyl]ethanamine has a molecular weight of 227.71 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropyl]ethanamine is sourced from PubChem (CID 117327900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).