1-[1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclopropyl]ethanamine

C13H16F3N — CID 117359794

IUPAC1-[1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclopropyl]ethanamine
SMILESCc1cc(C2(C(C)N)CC2)cc(F)c1C(F)F
InChIInChI=1S/C13H16F3N/c1-7-5-9(13(3-4-13)8(2)17)6-10(14)11(7)12(15)16/h5-6,8,12H,3-4,17H2,1-2H3
InChIKeyLCXAFHOPQQFTIP-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.45
Rot. Bonds3

About 1-[1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclopropyl]ethanamine

1-[1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclopropyl]ethanamine (PubChem CID 117359794) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-[1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclopropyl]ethanamine
PubChem CID117359794
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name1-[1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclopropyl]ethanamine
SMILESCc1cc(C2(C(C)N)CC2)cc(F)c1C(F)F
InChIInChI=1S/C13H16F3N/c1-7-5-9(13(3-4-13)8(2)17)6-10(14)11(7)12(15)16/h5-6,8,12H,3-4,17H2,1-2H3
InChIKeyLCXAFHOPQQFTIP-UHFFFAOYSA-N
XLogP3.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]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-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclobutyl]methanamine
CID 117359755
5-[1-(1-aminoethyl)cyclopropyl]-3-fluorobenzene-1,2-diol
CID 117301518
1-[1-(7-fluoro-1,3-dimethylindol-5-yl)cyclopropyl]ethanamine
CID 117368389
1-[1-(3,5-dimethylphenyl)cyclopropyl]ethanamine
CID 131471469
5-[1-(1-aminoethyl)cyclopropyl]-2,3-dimethylphenol
CID 117293797
4-[1-(1-aminoethyl)cyclopropyl]-2-fluorophenol
CID 117285258
1-[1-(4-chloro-3-fluorophenyl)cyclopropyl]ethanamine
CID 83689421
1-[1-(3-fluoro-4-iodophenyl)cyclopropyl]ethanamine
CID 117046693
1-[1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanamine
CID 117319411
4-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-6-methoxyphenol
CID 117323546
5-[1-(1-aminoethyl)cyclopropyl]-3-fluoro-2-methoxyphenol
CID 117323547
1-[1-[2-(difluoromethyl)-3-fluorophenyl]cyclopropyl]ethanamine
CID 117330234

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclopropyl]ethanamine?
The IUPAC name of 1-[1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclopropyl]ethanamine (CID 117359794) is 1-[1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclopropyl]ethanamine is Cc1cc(C2(C(C)N)CC2)cc(F)c1C(F)F.
What is the InChIKey of 1-[1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclopropyl]ethanamine?
The InChIKey is LCXAFHOPQQFTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-7-5-9(13(3-4-13)8(2)17)6-10(14)11(7)12(15)16/h5-6,8,12H,3-4,17H2,1-2H3.
What are the key properties of 1-[1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclopropyl]ethanamine?
1-[1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclopropyl]ethanamine has a molecular weight of 243.27 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclopropyl]ethanamine is sourced from PubChem (CID 117359794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).