N-[1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine

C19H24FN — CID 43494023

IUPACN-[1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1F)c1ccc(C)c(C)c1
InChIInChI=1S/C19H24FN/c1-4-11-21-19(13-16-7-5-6-8-18(16)20)17-10-9-14(2)15(3)12-17/h5-10,12,19,21H,4,11,13H2,1-3H3
InChIKeyLPZCZJMJXMQQNN-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.73
Rot. Bonds6

About N-[1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine

N-[1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine (PubChem CID 43494023) has the molecular formula C19H24FN and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
PubChem CID43494023
Molecular FormulaC19H24FN
Molecular Weight285.41 g/mol
Exact Mass285.19
IUPAC NameN-[1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1F)c1ccc(C)c(C)c1
InChIInChI=1S/C19H24FN/c1-4-11-21-19(13-16-7-5-6-8-18(16)20)17-10-9-14(2)15(3)12-17/h5-10,12,19,21H,4,11,13H2,1-3H3
InChIKeyLPZCZJMJXMQQNN-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)ethyl]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

N-[1-(4-fluoro-3-methylphenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63413503
N-[2-(2-fluorophenyl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 106754896
N-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 61066311
N-[2-(2-fluorophenyl)-1-(furan-3-yl)ethyl]propan-1-amine
CID 61064181
N-[1-(3,4-dimethylphenyl)-2-pyridin-2-ylethyl]propan-1-amine
CID 62550641
N-ethyl-1-(3-fluoro-4-methylphenyl)-2-(2-methylphenyl)ethanamine
CID 60819420
1-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 63195375
N-[1-(4-fluoro-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83175003
N-[1-(3,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine
CID 63416441
N-[1-(4-bromophenyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 63412021
N-[1-(2,4-difluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 43496285
N-[2-(4-fluoro-2-methylphenyl)-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 114347863

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine (CID 43494023) is N-[1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1F)c1ccc(C)c(C)c1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is LPZCZJMJXMQQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN/c1-4-11-21-19(13-16-7-5-6-8-18(16)20)17-10-9-14(2)15(3)12-17/h5-10,12,19,21H,4,11,13H2,1-3H3.
What are the key properties of N-[1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine?
N-[1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine has a molecular weight of 285.41 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43494023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).