3-[[methyl(prop-2-enyl)amino]methyl]aniline

C11H15N2+ — CID 140706213

IUPAC3-[[methyl(prop-2-enyl)amino]methyl]aniline
SMILES[H]/[C+]=C/CN(C)Cc1cccc(N)c1
InChIInChI=1S/C11H15N2/c1-3-7-13(2)9-10-5-4-6-11(12)8-10/h1,3-6,8H,7,9,12H2,2H3/q+1
InChIKeyLXZSTCNGRBSJIL-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.69
Rot. Bonds4

About 3-[[methyl(prop-2-enyl)amino]methyl]aniline

3-[[methyl(prop-2-enyl)amino]methyl]aniline (PubChem CID 140706213) has the molecular formula C11H15N2+ and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-[[methyl(prop-2-enyl)amino]methyl]aniline.

Molecular Properties

Compound Name3-[[methyl(prop-2-enyl)amino]methyl]aniline
PubChem CID140706213
Molecular FormulaC11H15N2+
Molecular Weight175.25 g/mol
Exact Mass175.12
IUPAC Name3-[[methyl(prop-2-enyl)amino]methyl]aniline
SMILES[H]/[C+]=C/CN(C)Cc1cccc(N)c1
InChIInChI=1S/C11H15N2/c1-3-7-13(2)9-10-5-4-6-11(12)8-10/h1,3-6,8H,7,9,12H2,2H3/q+1
InChIKeyLXZSTCNGRBSJIL-UHFFFAOYSA-N
XLogP1.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[[methyl(prop-2-enyl)amino]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

3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383732
3-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]aniline
CID 43457992
3-[[2,2-difluoroethyl(methyl)amino]methyl]aniline
CID 60923207
4-[[(3-aminophenyl)methyl-methylamino]methyl]benzonitrile
CID 43457946
3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide
CID 43457958
3-[[(2,4-difluorophenyl)methyl-ethylamino]methyl]aniline
CID 62196361
3-[[(5-ethylthiophen-2-yl)methyl-methylamino]methyl]aniline
CID 43383747
3-[(3-aminophenyl)methyl-methylamino]-N-methylpropanamide
CID 62325164
3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline
CID 105413427
3-[[(3-chlorophenyl)methyl-ethylamino]methyl]aniline
CID 43459137
3-[[2-cyclobutylethyl(methyl)amino]methyl]aniline
CID 115212038
2-[(3-aminophenyl)methyl-methylamino]-N-ethyl-N-methylacetamide
CID 43457988

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(prop-2-enyl)amino]methyl]aniline?
The IUPAC name of 3-[[methyl(prop-2-enyl)amino]methyl]aniline (CID 140706213) is 3-[[methyl(prop-2-enyl)amino]methyl]aniline.
What is the SMILES notation for 3-[[methyl(prop-2-enyl)amino]methyl]aniline?
The canonical SMILES for 3-[[methyl(prop-2-enyl)amino]methyl]aniline is [H]/[C+]=C/CN(C)Cc1cccc(N)c1.
What is the InChIKey of 3-[[methyl(prop-2-enyl)amino]methyl]aniline?
The InChIKey is LXZSTCNGRBSJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N2/c1-3-7-13(2)9-10-5-4-6-11(12)8-10/h1,3-6,8H,7,9,12H2,2H3/q+1.
What are the key properties of 3-[[methyl(prop-2-enyl)amino]methyl]aniline?
3-[[methyl(prop-2-enyl)amino]methyl]aniline has a molecular weight of 175.25 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(prop-2-enyl)amino]methyl]aniline is sourced from PubChem (CID 140706213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).