2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline

C15H25N3 — CID 107926272

IUPAC2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
SMILESCc1ccc(N(C)CC2CCCN2C)c(CN)c1
InChIInChI=1S/C15H25N3/c1-12-6-7-15(13(9-12)10-16)18(3)11-14-5-4-8-17(14)2/h6-7,9,14H,4-5,8,10-11,16H2,1-3H3
InChIKeyCCEZORQGCJKNAI-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.98
Rot. Bonds4

About 2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline

2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline (PubChem CID 107926272) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
PubChem CID107926272
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
SMILESCc1ccc(N(C)CC2CCCN2C)c(CN)c1
InChIInChI=1S/C15H25N3/c1-12-6-7-15(13(9-12)10-16)18(3)11-14-5-4-8-17(14)2/h6-7,9,14H,4-5,8,10-11,16H2,1-3H3
InChIKeyCCEZORQGCJKNAI-UHFFFAOYSA-N
XLogP1.98
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 107926216
2-(2-aminoethyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 114861920
4-methyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol
CID 82982815
4-(2-aminoethyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79318214
4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridazin-3-amine
CID 80509123
2-(aminomethyl)-4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline
CID 79304544
4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 79303386
2-(2-aminobutyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 114861923
2-(2-aminobutyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79318453
N,2-dimethyl-4-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79319732
2-(ethylaminomethyl)-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79319992
N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-[(2S)-1-methylpiperidin-2-yl]methanamine
CID 99931195

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The IUPAC name of 2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline (CID 107926272) is 2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline.
What is the SMILES notation for 2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The canonical SMILES for 2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline is Cc1ccc(N(C)CC2CCCN2C)c(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The InChIKey is CCEZORQGCJKNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12-6-7-15(13(9-12)10-16)18(3)11-14-5-4-8-17(14)2/h6-7,9,14H,4-5,8,10-11,16H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline has a molecular weight of 247.39 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline is sourced from PubChem (CID 107926272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).