2-[amino-(3-methylphenyl)methyl]aniline

C14H16N2 — CID 118675282

IUPAC2-[amino-(3-methylphenyl)methyl]aniline
SMILESCc1cccc(C(N)c2ccccc2N)c1
InChIInChI=1S/C14H16N2/c1-10-5-4-6-11(9-10)14(16)12-7-2-3-8-13(12)15/h2-9,14H,15-16H2,1H3
InChIKeyGMMQWKKDCGIADG-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.63
Rot. Bonds2

About 2-[amino-(3-methylphenyl)methyl]aniline

2-[amino-(3-methylphenyl)methyl]aniline (PubChem CID 118675282) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-[amino-(3-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-[amino-(3-methylphenyl)methyl]aniline
PubChem CID118675282
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name2-[amino-(3-methylphenyl)methyl]aniline
SMILESCc1cccc(C(N)c2ccccc2N)c1
InChIInChI=1S/C14H16N2/c1-10-5-4-6-11(9-10)14(16)12-7-2-3-8-13(12)15/h2-9,14H,15-16H2,1H3
InChIKeyGMMQWKKDCGIADG-UHFFFAOYSA-N
XLogP2.63
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.63
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-methylphenyl)-(3-methylphenyl)methanamine
CID 43828955
1-methyl-3-propan-2-ylbenzene;2-propan-2-ylaniline;4-propan-2-ylaniline
CID 159752223
[2-(difluoromethoxy)phenyl]-(3-methylphenyl)methanamine
CID 115790299
(2,5-dibromothiophen-3-yl)-(3-methylphenyl)methanamine
CID 43345006
(3-methylphenyl)methanediamine;dihydrochloride
CID 67649251
(3-ethoxyphenyl)-(3-methylphenyl)methanamine
CID 60798038
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine
CID 93312698
(1R)-2-methyl-1-(3-methylphenyl)propan-1-amine
CID 45072365
CID 156724864
CID 156724864
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
(3-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
CID 115789988
(R)-(3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171229492

Frequently Asked Questions

What is the IUPAC name of 2-[amino-(3-methylphenyl)methyl]aniline?
The IUPAC name of 2-[amino-(3-methylphenyl)methyl]aniline (CID 118675282) is 2-[amino-(3-methylphenyl)methyl]aniline.
What is the SMILES notation for 2-[amino-(3-methylphenyl)methyl]aniline?
The canonical SMILES for 2-[amino-(3-methylphenyl)methyl]aniline is Cc1cccc(C(N)c2ccccc2N)c1.
What is the InChIKey of 2-[amino-(3-methylphenyl)methyl]aniline?
The InChIKey is GMMQWKKDCGIADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-10-5-4-6-11(9-10)14(16)12-7-2-3-8-13(12)15/h2-9,14H,15-16H2,1H3.
What are the key properties of 2-[amino-(3-methylphenyl)methyl]aniline?
2-[amino-(3-methylphenyl)methyl]aniline has a molecular weight of 212.30 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-(3-methylphenyl)methyl]aniline is sourced from PubChem (CID 118675282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).