1-cyclopropyl-3-(2,3,4-trifluorophenyl)propan-1-amine

C12H14F3N — CID 64506062

IUPAC1-cyclopropyl-3-(2,3,4-trifluorophenyl)propan-1-amine
SMILESNC(CCc1ccc(F)c(F)c1F)C1CC1
InChIInChI=1S/C12H14F3N/c13-9-5-3-8(11(14)12(9)15)4-6-10(16)7-1-2-7/h3,5,7,10H,1-2,4,6,16H2
InChIKeyCLSOQVAITFDBLJ-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.77
Rot. Bonds4

About 1-cyclopropyl-3-(2,3,4-trifluorophenyl)propan-1-amine

1-cyclopropyl-3-(2,3,4-trifluorophenyl)propan-1-amine (PubChem CID 64506062) has the molecular formula C12H14F3N and a molecular weight of 229.24 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,3,4-trifluorophenyl)propan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,3,4-trifluorophenyl)propan-1-amine
PubChem CID64506062
Molecular FormulaC12H14F3N
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name1-cyclopropyl-3-(2,3,4-trifluorophenyl)propan-1-amine
SMILESNC(CCc1ccc(F)c(F)c1F)C1CC1
InChIInChI=1S/C12H14F3N/c13-9-5-3-8(11(14)12(9)15)4-6-10(16)7-1-2-7/h3,5,7,10H,1-2,4,6,16H2
InChIKeyCLSOQVAITFDBLJ-UHFFFAOYSA-N
XLogP2.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-3-(2,3,4-trifluorophenyl)propan-1-amine
CID 64505128
1-(3-chloropentyl)-2,3,4-trifluorobenzene
CID 64509327
3-amino-3-cyclopropyl-1-(2,3,4-trifluorophenyl)propan-1-one
CID 116608854
3-(2-chloro-5-fluorophenyl)-1-cyclopentylpropan-1-amine
CID 102616772
1-cyclopropyl-3-(furan-3-yl)propan-1-amine
CID 64506064
1-cyclopropyl-3-(2-fluoro-4,6-dimethylphenyl)propan-1-amine
CID 106882484
2-amino-3-(2,3,4-trifluorophenyl)propan-1-ol;hydrochloride
CID 170892136
N-(2-amino-2-cyclopropylethyl)-2,3,4-trifluorobenzenesulfonamide;hydrochloride
CID 120713268
1-cyclobutyl-3-(2-methylphenyl)propan-1-amine
CID 105187525
1-(3-chloropropyl)-2,3,4-trifluorobenzene
CID 53433999
2-cyclopropyl-1-(2,3,4-trifluorophenyl)ethanamine
CID 79016147
1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-ethylpropan-1-amine
CID 107514365

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,3,4-trifluorophenyl)propan-1-amine?
The IUPAC name of 1-cyclopropyl-3-(2,3,4-trifluorophenyl)propan-1-amine (CID 64506062) is 1-cyclopropyl-3-(2,3,4-trifluorophenyl)propan-1-amine.
What is the SMILES notation for 1-cyclopropyl-3-(2,3,4-trifluorophenyl)propan-1-amine?
The canonical SMILES for 1-cyclopropyl-3-(2,3,4-trifluorophenyl)propan-1-amine is NC(CCc1ccc(F)c(F)c1F)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,3,4-trifluorophenyl)propan-1-amine?
The InChIKey is CLSOQVAITFDBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c13-9-5-3-8(11(14)12(9)15)4-6-10(16)7-1-2-7/h3,5,7,10H,1-2,4,6,16H2.
What are the key properties of 1-cyclopropyl-3-(2,3,4-trifluorophenyl)propan-1-amine?
1-cyclopropyl-3-(2,3,4-trifluorophenyl)propan-1-amine has a molecular weight of 229.24 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,3,4-trifluorophenyl)propan-1-amine is sourced from PubChem (CID 64506062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).