2-(ethylaminomethyl)-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline

C16H26FN3 — CID 79319992

IUPAC2-(ethylaminomethyl)-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
SMILESCCNCc1cc(F)ccc1N(C)CC1CCCN1C
InChIInChI=1S/C16H26FN3/c1-4-18-11-13-10-14(17)7-8-16(13)20(3)12-15-6-5-9-19(15)2/h7-8,10,15,18H,4-6,9,11-12H2,1-3H3
InChIKeyFGAGIRTVFURISV-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.47
Rot. Bonds6

About 2-(ethylaminomethyl)-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline

2-(ethylaminomethyl)-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline (PubChem CID 79319992) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-(ethylaminomethyl)-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
PubChem CID79319992
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name2-(ethylaminomethyl)-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
SMILESCCNCc1cc(F)ccc1N(C)CC1CCCN1C
InChIInChI=1S/C16H26FN3/c1-4-18-11-13-10-14(17)7-8-16(13)20(3)12-15-6-5-9-19(15)2/h7-8,10,15,18H,4-6,9,11-12H2,1-3H3
InChIKeyFGAGIRTVFURISV-UHFFFAOYSA-N
XLogP2.47
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(ethylaminomethyl)-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline 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-cyclopropyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
CID 43313923
5-bromo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-(propylaminomethyl)aniline
CID 79310953
N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 114138263
2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 107926272
N-(cyclobutylmethyl)-N-ethyl-2-(ethylaminomethyl)-4-fluoroaniline
CID 107399877
4-fluoro-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]benzoic acid
CID 107908033
N-(cyclopropylmethyl)-4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63059181
4-(2-aminoethyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79318214
2-(2-aminoethyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 114861920
N,2-dimethyl-4-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79319732
N-[[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]furan-3-yl]methyl]ethanamine
CID 79313218
N-benzyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
CID 43313735

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The IUPAC name of 2-(ethylaminomethyl)-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline (CID 79319992) is 2-(ethylaminomethyl)-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline.
What is the SMILES notation for 2-(ethylaminomethyl)-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The canonical SMILES for 2-(ethylaminomethyl)-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline is CCNCc1cc(F)ccc1N(C)CC1CCCN1C.
What is the InChIKey of 2-(ethylaminomethyl)-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The InChIKey is FGAGIRTVFURISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-4-18-11-13-10-14(17)7-8-16(13)20(3)12-15-6-5-9-19(15)2/h7-8,10,15,18H,4-6,9,11-12H2,1-3H3.
What are the key properties of 2-(ethylaminomethyl)-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
2-(ethylaminomethyl)-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline has a molecular weight of 279.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline is sourced from PubChem (CID 79319992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).