4-methyl-3-(methylaminomethyl)aniline

C9H14N2 — CID 45078677

IUPAC4-methyl-3-(methylaminomethyl)aniline
SMILESCNCc1cc(N)ccc1C
InChIInChI=1S/C9H14N2/c1-7-3-4-9(10)5-8(7)6-11-2/h3-5,11H,6,10H2,1-2H3
InChIKeyBETJQPLVMIOYFC-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.30
Rot. Bonds2

About 4-methyl-3-(methylaminomethyl)aniline

4-methyl-3-(methylaminomethyl)aniline (PubChem CID 45078677) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 4-methyl-3-(methylaminomethyl)aniline.

Molecular Properties

Compound Name4-methyl-3-(methylaminomethyl)aniline
PubChem CID45078677
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name4-methyl-3-(methylaminomethyl)aniline
SMILESCNCc1cc(N)ccc1C
InChIInChI=1S/C9H14N2/c1-7-3-4-9(10)5-8(7)6-11-2/h3-5,11H,6,10H2,1-2H3
InChIKeyBETJQPLVMIOYFC-UHFFFAOYSA-N
XLogP1.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.30
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

3-methyl-4-(methylaminomethyl)aniline
CID 45078678
1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane
CID 142925583
1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049128
1-N,1-N-dimethyl-2-(methylaminomethyl)benzene-1,4-diamine
CID 141451850
4-methoxy-3-(methylaminomethyl)aniline
CID 21415904
3-(2-aminoethyl)-4-methylaniline
CID 83384141
3-ethyl-4-methylaniline;hydrochloride
CID 23499109
1-(5-tert-butyl-2-methylphenyl)-N-methylmethanamine
CID 82125631
3-(methylaminomethyl)-4-(trifluoromethylsulfanyl)aniline
CID 144758231
5-amino-2-(methylaminomethyl)benzenesulfonamide
CID 56998580
3-(methylaminomethyl)-1-benzothiophen-6-amine
CID 117178025
2-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 59646170

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(methylaminomethyl)aniline?
The IUPAC name of 4-methyl-3-(methylaminomethyl)aniline (CID 45078677) is 4-methyl-3-(methylaminomethyl)aniline.
What is the SMILES notation for 4-methyl-3-(methylaminomethyl)aniline?
The canonical SMILES for 4-methyl-3-(methylaminomethyl)aniline is CNCc1cc(N)ccc1C.
What is the InChIKey of 4-methyl-3-(methylaminomethyl)aniline?
The InChIKey is BETJQPLVMIOYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-3-4-9(10)5-8(7)6-11-2/h3-5,11H,6,10H2,1-2H3.
What are the key properties of 4-methyl-3-(methylaminomethyl)aniline?
4-methyl-3-(methylaminomethyl)aniline has a molecular weight of 150.22 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(methylaminomethyl)aniline is sourced from PubChem (CID 45078677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).