(1S)-2-cyclopropyl-1-(2,3-difluorophenyl)ethanamine

C11H13F2N — CID 131113466

IUPAC(1S)-2-cyclopropyl-1-(2,3-difluorophenyl)ethanamine
SMILESN[C@@H](CC1CC1)c1cccc(F)c1F
InChIInChI=1S/C11H13F2N/c12-9-3-1-2-8(11(9)13)10(14)6-7-4-5-7/h1-3,7,10H,4-6,14H2/t10-/m0/s1
InChIKeySMHXRWFYGNTRPH-JTQLQIEISA-N
MW197.23 g/mol
LogP2.76
Rot. Bonds3

About (1S)-2-cyclopropyl-1-(2,3-difluorophenyl)ethanamine

(1S)-2-cyclopropyl-1-(2,3-difluorophenyl)ethanamine (PubChem CID 131113466) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is (1S)-2-cyclopropyl-1-(2,3-difluorophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-2-cyclopropyl-1-(2,3-difluorophenyl)ethanamine
PubChem CID131113466
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name(1S)-2-cyclopropyl-1-(2,3-difluorophenyl)ethanamine
SMILESN[C@@H](CC1CC1)c1cccc(F)c1F
InChIInChI=1S/C11H13F2N/c12-9-3-1-2-8(11(9)13)10(14)6-7-4-5-7/h1-3,7,10H,4-6,14H2/t10-/m0/s1
InChIKeySMHXRWFYGNTRPH-JTQLQIEISA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-2-cyclopropyl-1-(2,3-difluorophenyl)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

2-cyclopropyl-1-(2,3,4-trifluorophenyl)ethanamine
CID 79016147
2-(1-amino-2-cyclopropylethyl)-6-fluorophenol
CID 55268848
(1R)-2-cyclopropyl-1-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 171211426
(1R)-1-(2,3-difluorophenyl)-2-fluoroethanamine
CID 130740137
(1R)-2-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 131568971
(1S)-1-(2,3-difluorophenyl)propane-1,3-diamine
CID 130986814
1-(2-fluorophenyl)-2-(thian-4-yl)ethanamine
CID 105119564
(1S)-1-(2,3-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313008
[2-cyclopentyl-1-(2,3-difluorophenyl)ethyl]hydrazine
CID 105299116
1-(2-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride
CID 131675141
1-cyclopropyl-N-[1-(2,3-difluorophenyl)ethyl]propan-2-amine
CID 103906225
(1S)-1-(2-bromo-6-fluorophenyl)-2-cyclopropylethanamine
CID 131145671

Frequently Asked Questions

What is the IUPAC name of (1S)-2-cyclopropyl-1-(2,3-difluorophenyl)ethanamine?
The IUPAC name of (1S)-2-cyclopropyl-1-(2,3-difluorophenyl)ethanamine (CID 131113466) is (1S)-2-cyclopropyl-1-(2,3-difluorophenyl)ethanamine.
What is the SMILES notation for (1S)-2-cyclopropyl-1-(2,3-difluorophenyl)ethanamine?
The canonical SMILES for (1S)-2-cyclopropyl-1-(2,3-difluorophenyl)ethanamine is N[C@@H](CC1CC1)c1cccc(F)c1F.
What is the InChIKey of (1S)-2-cyclopropyl-1-(2,3-difluorophenyl)ethanamine?
The InChIKey is SMHXRWFYGNTRPH-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13F2N/c12-9-3-1-2-8(11(9)13)10(14)6-7-4-5-7/h1-3,7,10H,4-6,14H2/t10-/m0/s1.
What are the key properties of (1S)-2-cyclopropyl-1-(2,3-difluorophenyl)ethanamine?
(1S)-2-cyclopropyl-1-(2,3-difluorophenyl)ethanamine has a molecular weight of 197.23 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-cyclopropyl-1-(2,3-difluorophenyl)ethanamine is sourced from PubChem (CID 131113466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).