1-(2-chloro-5-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine

C13H17ClFN — CID 105396910

IUPAC1-(2-chloro-5-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
SMILESCNC(c1cc(F)ccc1Cl)C(C)C1CC1
InChIInChI=1S/C13H17ClFN/c1-8(9-3-4-9)13(16-2)11-7-10(15)5-6-12(11)14/h5-9,13,16H,3-4H2,1-2H3
InChIKeyRUEAJQFFLCMEJL-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.79
Rot. Bonds4

About 1-(2-chloro-5-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine

1-(2-chloro-5-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine (PubChem CID 105396910) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
PubChem CID105396910
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name1-(2-chloro-5-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
SMILESCNC(c1cc(F)ccc1Cl)C(C)C1CC1
InChIInChI=1S/C13H17ClFN/c1-8(9-3-4-9)13(16-2)11-7-10(15)5-6-12(11)14/h5-9,13,16H,3-4H2,1-2H3
InChIKeyRUEAJQFFLCMEJL-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-chloro-5-fluorophenyl)-2-cyclopropyl-N-methylpropan-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

Related Compounds

1-(4-chloro-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
CID 105022658
1-(2-chloro-5-fluorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 105394836
2-cyclopropyl-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 115792103
2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-methylpropan-1-amine
CID 83155006
1-(2-chloro-5-fluorophenyl)-2-ethyl-N-methylbutan-1-amine
CID 105397290
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine
CID 105397031
1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
CID 105011902
2-cyclopropyl-1-(2,5-difluorophenyl)-N-ethylpropan-1-amine
CID 83153802
1-(2-chloro-5-fluorophenyl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105397023
1-(4-bromo-2,5-difluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
CID 83154592
2-cyclopropyl-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine
CID 83154390
(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethanamine
CID 131512229

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine (CID 105396910) is 1-(2-chloro-5-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine is CNC(c1cc(F)ccc1Cl)C(C)C1CC1.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine?
The InChIKey is RUEAJQFFLCMEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-8(9-3-4-9)13(16-2)11-7-10(15)5-6-12(11)14/h5-9,13,16H,3-4H2,1-2H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine?
1-(2-chloro-5-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine has a molecular weight of 241.74 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine is sourced from PubChem (CID 105396910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).