3-[(2-methylphenyl)methyl]aniline

C14H15N — CID 116925822

IUPAC3-[(2-methylphenyl)methyl]aniline
SMILESCc1ccccc1Cc1cccc(N)c1
InChIInChI=1S/C14H15N/c1-11-5-2-3-7-13(11)9-12-6-4-8-14(15)10-12/h2-8,10H,9,15H2,1H3
InChIKeyBTUNJPJBGDTQEN-UHFFFAOYSA-N
MW197.28 g/mol
LogP3.17
Rot. Bonds2

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

3-[(2-methylphenyl)methyl]aniline (PubChem CID 116925822) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name3-[(2-methylphenyl)methyl]aniline
PubChem CID116925822
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name3-[(2-methylphenyl)methyl]aniline
SMILESCc1ccccc1Cc1cccc(N)c1
InChIInChI=1S/C14H15N/c1-11-5-2-3-7-13(11)9-12-6-4-8-14(15)10-12/h2-8,10H,9,15H2,1H3
InChIKeyBTUNJPJBGDTQEN-UHFFFAOYSA-N
XLogP3.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-benzyl-3-methylaniline
CID 12846586
2-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 59646170
3-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 69380525
1-benzyl-2-methylbenzene;hydrochloride
CID 139328614
3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]aniline
CID 116925789
4-[[4-amino-3-[[3-amino-5-[(3-aminophenyl)methyl]phenyl]methyl]phenyl]methyl]-2-methylaniline
CID 130251815
3-[2-(2-methylphenyl)prop-2-enyl]aniline
CID 143547599
2-bromo-1,4-dimethylbenzene;1,4-dimethyl-2-[(3-methylphenyl)methyl]benzene;3-methylaniline
CID 159467395
1-methyl-2-[(3-nitrophenyl)methyl]benzene
CID 174546856
3-[[3-[(3-aminophenyl)methyl]phenyl]methyl]aniline;3-[[3-[(4-aminophenyl)methyl]phenyl]methyl]aniline;3-[[4-[(3-aminophenyl)methyl]phenyl]methyl]aniline;3-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline;4-[[3-[(4-aminophenyl)methyl]phenyl]methyl]aniline;4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]aniline
CID 159164219
5-[3-[(2-methylphenyl)methyl]phenyl]-2H-tetrazole
CID 91017047
3-[(2,5-difluorophenyl)methyl]aniline
CID 116925761

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)methyl]aniline?
The IUPAC name of 3-[(2-methylphenyl)methyl]aniline (CID 116925822) is 3-[(2-methylphenyl)methyl]aniline.
What is the SMILES notation for 3-[(2-methylphenyl)methyl]aniline?
The canonical SMILES for 3-[(2-methylphenyl)methyl]aniline is Cc1ccccc1Cc1cccc(N)c1.
What is the InChIKey of 3-[(2-methylphenyl)methyl]aniline?
The InChIKey is BTUNJPJBGDTQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N/c1-11-5-2-3-7-13(11)9-12-6-4-8-14(15)10-12/h2-8,10H,9,15H2,1H3.
What are the key properties of 3-[(2-methylphenyl)methyl]aniline?
3-[(2-methylphenyl)methyl]aniline has a molecular weight of 197.28 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)methyl]aniline is sourced from PubChem (CID 116925822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).