N'-methyl-1-(2-methylphenyl)methanediamine

C9H14N2 — CID 116939379

IUPACN'-methyl-1-(2-methylphenyl)methanediamine
SMILESCNC(N)c1ccccc1C
InChIInChI=1S/C9H14N2/c1-7-5-3-4-6-8(7)9(10)11-2/h3-6,9,11H,10H2,1-2H3
InChIKeyHNRYACHCGXCHMG-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.17
Rot. Bonds2

About N'-methyl-1-(2-methylphenyl)methanediamine

N'-methyl-1-(2-methylphenyl)methanediamine (PubChem CID 116939379) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N'-methyl-1-(2-methylphenyl)methanediamine.

Molecular Properties

Compound NameN'-methyl-1-(2-methylphenyl)methanediamine
PubChem CID116939379
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN'-methyl-1-(2-methylphenyl)methanediamine
SMILESCNC(N)c1ccccc1C
InChIInChI=1S/C9H14N2/c1-7-5-3-4-6-8(7)9(10)11-2/h3-6,9,11H,10H2,1-2H3
InChIKeyHNRYACHCGXCHMG-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-1-naphthalen-1-ylmethanediamine
CID 116939404
bis((1S)-1-(2-methylphenyl)ethanamine);dihydrochloride
CID 134129357
2-N,2-dimethyl-1-(2-methylphenyl)propane-1,2-diamine
CID 116938951
(2-methylphenyl)-phenylmethanamine
CID 15254157
1-cyclopropyl-N-methyl-1-(2-methylphenyl)methanamine
CID 60819765
(2,3-dimethylphenyl)-(2-methylphenyl)methanamine
CID 55085139
N-methyl-1-(2-methylphenyl)-1-naphthalen-1-ylmethanamine
CID 62717419
(2S,3S)-2-amino-3-(2-methylphenyl)butanoic acid
CID 14598183
N,3,3-trimethyl-1-(2-methylphenyl)butan-1-amine
CID 63891299
N-methyl-1-(2-methylphenyl)-2-phenylethanamine
CID 60819180
2-methylbenzenethiol;N-methylmethanamine
CID 126753655
1-amino-1-(2-methylphenyl)propan-2-one
CID 55295097

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-(2-methylphenyl)methanediamine?
The IUPAC name of N'-methyl-1-(2-methylphenyl)methanediamine (CID 116939379) is N'-methyl-1-(2-methylphenyl)methanediamine.
What is the SMILES notation for N'-methyl-1-(2-methylphenyl)methanediamine?
The canonical SMILES for N'-methyl-1-(2-methylphenyl)methanediamine is CNC(N)c1ccccc1C.
What is the InChIKey of N'-methyl-1-(2-methylphenyl)methanediamine?
The InChIKey is HNRYACHCGXCHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-5-3-4-6-8(7)9(10)11-2/h3-6,9,11H,10H2,1-2H3.
What are the key properties of N'-methyl-1-(2-methylphenyl)methanediamine?
N'-methyl-1-(2-methylphenyl)methanediamine has a molecular weight of 150.22 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-(2-methylphenyl)methanediamine is sourced from PubChem (CID 116939379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).