2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)aniline

C15H22F3N3 — CID 63272603

IUPAC2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)aniline
SMILESCN1CCC(CN(C)c2ccc(C(F)(F)F)cc2CN)C1
InChIInChI=1S/C15H22F3N3/c1-20-6-5-11(9-20)10-21(2)14-4-3-13(15(16,17)18)7-12(14)8-19/h3-4,7,11H,5-6,8-10,19H2,1-2H3
InChIKeyFEUUDUGZWPIFKA-UHFFFAOYSA-N
MW301.36 g/mol
LogP2.55
Rot. Bonds4

About 2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)aniline

2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)aniline (PubChem CID 63272603) has the molecular formula C15H22F3N3 and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)aniline
PubChem CID63272603
Molecular FormulaC15H22F3N3
Molecular Weight301.36 g/mol
Exact Mass301.18
IUPAC Name2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)aniline
SMILESCN1CCC(CN(C)c2ccc(C(F)(F)F)cc2CN)C1
InChIInChI=1S/C15H22F3N3/c1-20-6-5-11(9-20)10-21(2)14-4-3-13(15(16,17)18)7-12(14)8-19/h3-4,7,11H,5-6,8-10,19H2,1-2H3
InChIKeyFEUUDUGZWPIFKA-UHFFFAOYSA-N
XLogP2.55
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)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

2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 107926216
2-(2-aminoethyl)-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63783264
4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 63276067
N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-N-methyloxan-4-amine
CID 43610591
2-(2-aminopropyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63793436
4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 78936852
[3-fluoro-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol
CID 63273796
2-(2-aminobutyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 114860842
4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(trifluoromethyl)benzonitrile
CID 63274111
4-(aminomethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine
CID 63274020
[5-fluoro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]methanol
CID 55175384
5-chloro-2-(chloromethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 114846672

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)aniline?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)aniline (CID 63272603) is 2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)aniline is CN1CCC(CN(C)c2ccc(C(F)(F)F)cc2CN)C1.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)aniline?
The InChIKey is FEUUDUGZWPIFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3/c1-20-6-5-11(9-20)10-21(2)14-4-3-13(15(16,17)18)7-12(14)8-19/h3-4,7,11H,5-6,8-10,19H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)aniline?
2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)aniline has a molecular weight of 301.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 63272603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).