2-(1-aminoethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline

C17H20ClFN2 — CID 62978144

IUPAC2-(1-aminoethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline
SMILESCC(N)c1c(F)cccc1N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClFN2/c1-11(20)17-15(19)5-4-6-16(17)21(3)12(2)13-7-9-14(18)10-8-13/h4-12H,20H2,1-3H3
InChIKeyPMDBQKGPPQYQBK-UHFFFAOYSA-N
MW306.81 g/mol
LogP4.70
Rot. Bonds4

About 2-(1-aminoethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline

2-(1-aminoethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline (PubChem CID 62978144) has the molecular formula C17H20ClFN2 and a molecular weight of 306.81 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline
PubChem CID62978144
Molecular FormulaC17H20ClFN2
Molecular Weight306.81 g/mol
Exact Mass306.13
IUPAC Name2-(1-aminoethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline
SMILESCC(N)c1c(F)cccc1N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClFN2/c1-11(20)17-15(19)5-4-6-16(17)21(3)12(2)13-7-9-14(18)10-8-13/h4-12H,20H2,1-3H3
InChIKeyPMDBQKGPPQYQBK-UHFFFAOYSA-N
XLogP4.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-aminoethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline 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-[(1R)-1-aminoethyl]-3-fluoro-N-methyl-N-pentan-3-ylaniline
CID 63369402
2-(1-aminoethyl)-N-[1-(4-chlorophenyl)ethyl]-4-fluoro-N-methylaniline
CID 62978142
2-[(1S)-1-aminoethyl]-3-fluoro-N-(1-methoxypropan-2-yl)-N-methylaniline
CID 55188889
2-[(1S)-1-aminoethyl]-N-[(3-chlorophenyl)methyl]-3-fluoro-N-methylaniline
CID 78934812
1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777
2-[(1R)-1-aminoethyl]-N-cyclobutyl-3-fluoro-N-methylaniline
CID 104873538
4-[1-(2-fluoro-N-methylanilino)ethyl]phenol
CID 82978305
N-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylcycloheptanamine
CID 43614150
2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide
CID 62978295
1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-dimethylbenzene-1,4-diamine
CID 62979678
4-chloro-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine
CID 62980215
2-(1-aminoethyl)-3-fluoro-N-methyl-N-pentylaniline
CID 43295036

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline?
The IUPAC name of 2-(1-aminoethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline (CID 62978144) is 2-(1-aminoethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline.
What is the SMILES notation for 2-(1-aminoethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline?
The canonical SMILES for 2-(1-aminoethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline is CC(N)c1c(F)cccc1N(C)C(C)c1ccc(Cl)cc1.
What is the InChIKey of 2-(1-aminoethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline?
The InChIKey is PMDBQKGPPQYQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2/c1-11(20)17-15(19)5-4-6-16(17)21(3)12(2)13-7-9-14(18)10-8-13/h4-12H,20H2,1-3H3.
What are the key properties of 2-(1-aminoethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline?
2-(1-aminoethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline has a molecular weight of 306.81 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline is sourced from PubChem (CID 62978144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).