4-[amino-(1-methylpyrrolidin-3-yl)methyl]-N-methylaniline

C13H21N3 — CID 116936927

IUPAC4-[amino-(1-methylpyrrolidin-3-yl)methyl]-N-methylaniline
SMILESCNc1ccc(C(N)C2CCN(C)C2)cc1
InChIInChI=1S/C13H21N3/c1-15-12-5-3-10(4-6-12)13(14)11-7-8-16(2)9-11/h3-6,11,13,15H,7-9,14H2,1-2H3
InChIKeyXGXIMAGDDJSQPI-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.68
Rot. Bonds3

About 4-[amino-(1-methylpyrrolidin-3-yl)methyl]-N-methylaniline

4-[amino-(1-methylpyrrolidin-3-yl)methyl]-N-methylaniline (PubChem CID 116936927) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-[amino-(1-methylpyrrolidin-3-yl)methyl]-N-methylaniline.

Molecular Properties

Compound Name4-[amino-(1-methylpyrrolidin-3-yl)methyl]-N-methylaniline
PubChem CID116936927
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name4-[amino-(1-methylpyrrolidin-3-yl)methyl]-N-methylaniline
SMILESCNc1ccc(C(N)C2CCN(C)C2)cc1
InChIInChI=1S/C13H21N3/c1-15-12-5-3-10(4-6-12)13(14)11-7-8-16(2)9-11/h3-6,11,13,15H,7-9,14H2,1-2H3
InChIKeyXGXIMAGDDJSQPI-UHFFFAOYSA-N
XLogP1.68
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[amino-(1-methylpiperidin-3-yl)methyl]aniline
CID 116936840
N-methyl-3-[methylamino-(1-methylpyrrolidin-3-yl)methyl]aniline
CID 116951993
2-[amino-(1-methylpyrrolidin-3-yl)methyl]phenol
CID 105459188
1-N,4-N-dimethyl-4-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine
CID 117041410
1-[4-(aminomethyl)phenyl]-N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine
CID 116952260
N-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]aniline
CID 175496866
4-[(1S)-1-aminoethyl]-N-methylaniline
CID 130673691
3-amino-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide
CID 116850731
(5-fluoro-2-methoxyphenyl)-(1-methylpyrrolidin-3-yl)methanamine
CID 83824626
1-methyl-3-propan-2-ylpyrrolidine
CID 21355395
1-[4-(methylamino)phenyl]piperidin-3-amine
CID 171622540
N-methyl-4-(4-methylthiomorpholin-2-yl)aniline
CID 70934978

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(1-methylpyrrolidin-3-yl)methyl]-N-methylaniline?
The IUPAC name of 4-[amino-(1-methylpyrrolidin-3-yl)methyl]-N-methylaniline (CID 116936927) is 4-[amino-(1-methylpyrrolidin-3-yl)methyl]-N-methylaniline.
What is the SMILES notation for 4-[amino-(1-methylpyrrolidin-3-yl)methyl]-N-methylaniline?
The canonical SMILES for 4-[amino-(1-methylpyrrolidin-3-yl)methyl]-N-methylaniline is CNc1ccc(C(N)C2CCN(C)C2)cc1.
What is the InChIKey of 4-[amino-(1-methylpyrrolidin-3-yl)methyl]-N-methylaniline?
The InChIKey is XGXIMAGDDJSQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-15-12-5-3-10(4-6-12)13(14)11-7-8-16(2)9-11/h3-6,11,13,15H,7-9,14H2,1-2H3.
What are the key properties of 4-[amino-(1-methylpyrrolidin-3-yl)methyl]-N-methylaniline?
4-[amino-(1-methylpyrrolidin-3-yl)methyl]-N-methylaniline has a molecular weight of 219.33 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(1-methylpyrrolidin-3-yl)methyl]-N-methylaniline is sourced from PubChem (CID 116936927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).