N-[1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylethyl]propan-1-amine

C15H21ClFN — CID 81045921

IUPACN-[1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylethyl]propan-1-amine
SMILESCCCNC(CC1CC1)c1cc(C)c(F)cc1Cl
InChIInChI=1S/C15H21ClFN/c1-3-6-18-15(8-11-4-5-11)12-7-10(2)14(17)9-13(12)16/h7,9,11,15,18H,3-6,8H2,1-2H3
InChIKeyLMIVSEKHUCMVDF-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.63
Rot. Bonds6

About N-[1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylethyl]propan-1-amine

N-[1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylethyl]propan-1-amine (PubChem CID 81045921) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is N-[1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylethyl]propan-1-amine
PubChem CID81045921
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC NameN-[1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylethyl]propan-1-amine
SMILESCCCNC(CC1CC1)c1cc(C)c(F)cc1Cl
InChIInChI=1S/C15H21ClFN/c1-3-6-18-15(8-11-4-5-11)12-7-10(2)14(17)9-13(12)16/h7,9,11,15,18H,3-6,8H2,1-2H3
InChIKeyLMIVSEKHUCMVDF-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylethyl]propan-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-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 81045290
N-[(2-chloro-4-fluoro-5-methylphenyl)-cyclopentylmethyl]propan-1-amine
CID 81045069
1-(2-chloro-4-fluoro-5-methylphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 81045523
N-[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]propan-1-amine
CID 115863518
N-[2-cyclobutyl-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine
CID 103168829
1-(2-chloro-4-fluoro-5-methylphenyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 81044916
N-[2-cyclohexyl-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 55186438
N-[1-(4-chloro-3-fluorophenyl)-2-cyclobutylethyl]propan-1-amine
CID 107993397
1-(2-chloro-4,5-difluorophenyl)-N-propylbutan-1-amine
CID 107476598
N-[2-cyclopentyl-1-(2-fluoro-3-methylphenyl)ethyl]propan-1-amine
CID 115847405
1-(2-chloro-4-fluoro-5-methylphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 81045054
N-[1-(5-bromo-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine
CID 114895057

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylethyl]propan-1-amine?
The IUPAC name of N-[1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylethyl]propan-1-amine (CID 81045921) is N-[1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylethyl]propan-1-amine is CCCNC(CC1CC1)c1cc(C)c(F)cc1Cl.
What is the InChIKey of N-[1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylethyl]propan-1-amine?
The InChIKey is LMIVSEKHUCMVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-3-6-18-15(8-11-4-5-11)12-7-10(2)14(17)9-13(12)16/h7,9,11,15,18H,3-6,8H2,1-2H3.
What are the key properties of N-[1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylethyl]propan-1-amine?
N-[1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylethyl]propan-1-amine has a molecular weight of 269.79 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylethyl]propan-1-amine is sourced from PubChem (CID 81045921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).