3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]aniline

C14H23N3 — CID 79304453

IUPAC3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]aniline
SMILESCN(Cc1cccc(N)c1)CC1CCCN1C
InChIInChI=1S/C14H23N3/c1-16(11-14-7-4-8-17(14)2)10-12-5-3-6-13(15)9-12/h3,5-6,9,14H,4,7-8,10-11,15H2,1-2H3
InChIKeyGOKIZVBNTQJELK-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.79
Rot. Bonds4

About 3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]aniline

3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]aniline (PubChem CID 79304453) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]aniline.

Molecular Properties

Compound Name3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]aniline
PubChem CID79304453
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]aniline
SMILESCN(Cc1cccc(N)c1)CC1CCCN1C
InChIInChI=1S/C14H23N3/c1-16(11-14-7-4-8-17(14)2)10-12-5-3-6-13(15)9-12/h3,5-6,9,14H,4,7-8,10-11,15H2,1-2H3
InChIKeyGOKIZVBNTQJELK-UHFFFAOYSA-N
XLogP1.79
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]benzonitrile
CID 79313570
3-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethoxy]aniline
CID 79304456
3-[[(2S)-1-methylpyrrolidin-2-yl]methoxymethyl]aniline
CID 18335035
4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-3-(trifluoromethyl)aniline
CID 81117739
2-methoxy-5-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol
CID 82983909
2-ethoxy-4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol
CID 82982737
1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylpropane-1,2-diamine
CID 79318693
2-(3-aminophenoxy)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 79303945
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
CID 79303970
N-[(6-hydrazinyl-3-pyridinyl)methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
CID 79312971
3-[[2-cyclobutylethyl(methyl)amino]methyl]aniline
CID 115212038
N-[(2-bromo-4-fluorophenyl)methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
CID 79315406

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]aniline?
The IUPAC name of 3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]aniline (CID 79304453) is 3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]aniline.
What is the SMILES notation for 3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]aniline?
The canonical SMILES for 3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]aniline is CN(Cc1cccc(N)c1)CC1CCCN1C.
What is the InChIKey of 3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]aniline?
The InChIKey is GOKIZVBNTQJELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-16(11-14-7-4-8-17(14)2)10-12-5-3-6-13(15)9-12/h3,5-6,9,14H,4,7-8,10-11,15H2,1-2H3.
What are the key properties of 3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]aniline?
3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]aniline has a molecular weight of 233.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]aniline is sourced from PubChem (CID 79304453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).