N-cyclopropyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline

C13H19FN2 — CID 43313923

IUPACN-cyclopropyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
SMILESCCNCc1cc(F)ccc1N(C)C1CC1
InChIInChI=1S/C13H19FN2/c1-3-15-9-10-8-11(14)4-7-13(10)16(2)12-5-6-12/h4,7-8,12,15H,3,5-6,9H2,1-2H3
InChIKeyAWPHKEJYLQGYJT-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.53
Rot. Bonds5

About N-cyclopropyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline

N-cyclopropyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline (PubChem CID 43313923) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is N-cyclopropyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-cyclopropyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
PubChem CID43313923
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC NameN-cyclopropyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
SMILESCCNCc1cc(F)ccc1N(C)C1CC1
InChIInChI=1S/C13H19FN2/c1-3-15-9-10-8-11(14)4-7-13(10)16(2)12-5-6-12/h4,7-8,12,15H,3,5-6,9H2,1-2H3
InChIKeyAWPHKEJYLQGYJT-UHFFFAOYSA-N
XLogP2.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclopropyl-2-(ethylaminomethyl)-4-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-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]propan-1-ol
CID 113426132
2-[(tert-butylamino)methyl]-N-cyclohexyl-4-fluoro-N-methylaniline
CID 63551513
N-cyclopropyl-N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]aniline
CID 63060362
N-(cyclobutylmethyl)-N-ethyl-2-(ethylaminomethyl)-4-fluoroaniline
CID 107399877
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
[2-[(1-ethylpiperidin-4-yl)-methylamino]-5-fluorophenyl]methanol
CID 55004619
2-[N-cyclopropyl-4-fluoro-2-(propylaminomethyl)anilino]ethanol
CID 54994918
2-(ethylaminomethyl)-4-fluoro-N-propan-2-yl-N-propylaniline
CID 43313953
N-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenyl]-N-methylthiolan-3-amine
CID 63058598
2-(ethylaminomethyl)-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79319992
N,N-dibutyl-2-(ethylaminomethyl)-4-fluoroaniline
CID 43313896
N-benzyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
CID 43313735

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline?
The IUPAC name of N-cyclopropyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline (CID 43313923) is N-cyclopropyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline.
What is the SMILES notation for N-cyclopropyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline?
The canonical SMILES for N-cyclopropyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline is CCNCc1cc(F)ccc1N(C)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline?
The InChIKey is AWPHKEJYLQGYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-3-15-9-10-8-11(14)4-7-13(10)16(2)12-5-6-12/h4,7-8,12,15H,3,5-6,9H2,1-2H3.
What are the key properties of N-cyclopropyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline?
N-cyclopropyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline has a molecular weight of 222.31 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline is sourced from PubChem (CID 43313923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).