3-(methylaminomethyl)aniline

C8H12N2 — CID 11643936

IUPAC3-(methylaminomethyl)aniline
SMILESCNCc1cccc(N)c1
InChIInChI=1S/C8H12N2/c1-10-6-7-3-2-4-8(9)5-7/h2-5,10H,6,9H2,1H3
InChIKeyHBLPYXIZPMDWIO-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.99
Rot. Bonds2

About 3-(methylaminomethyl)aniline

3-(methylaminomethyl)aniline (PubChem CID 11643936) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 3-(methylaminomethyl)aniline.

Molecular Properties

Compound Name3-(methylaminomethyl)aniline
PubChem CID11643936
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name3-(methylaminomethyl)aniline
SMILESCNCc1cccc(N)c1
InChIInChI=1S/C8H12N2/c1-10-6-7-3-2-4-8(9)5-7/h2-5,10H,6,9H2,1H3
InChIKeyHBLPYXIZPMDWIO-UHFFFAOYSA-N
XLogP0.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-Diaminotoluene
CID 7252
3,5-Dimethylaniline
CID 7949
1-(3-(Trifluoromethyl)phenyl)piperazine
CID 4296
2,5-Dimethylaniline
CID 7259
m-Toluidine
CID 7934
N-ethyl-3-methylaniline
CID 7603
2-Amino-5-(diethylamino)toluene
CID 67364
N,N-Diethyltoluene-2,5-diamine hydrochloride
CID 108623
N-(3-Methylphenyl)aniline
CID 14569
3-Ethylaniline
CID 11475
N,N-dimethyl-m-toluidine
CID 8488
N,N-diethyl-m-toluidine
CID 66679

Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)aniline?
The IUPAC name of 3-(methylaminomethyl)aniline (CID 11643936) is 3-(methylaminomethyl)aniline.
What is the SMILES notation for 3-(methylaminomethyl)aniline?
The canonical SMILES for 3-(methylaminomethyl)aniline is CNCc1cccc(N)c1.
What is the InChIKey of 3-(methylaminomethyl)aniline?
The InChIKey is HBLPYXIZPMDWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-10-6-7-3-2-4-8(9)5-7/h2-5,10H,6,9H2,1H3.
What are the key properties of 3-(methylaminomethyl)aniline?
3-(methylaminomethyl)aniline has a molecular weight of 136.20 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)aniline is sourced from PubChem (CID 11643936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).