2-[(2-methylphenyl)methyl]benzene-1,4-diamine

C14H16N2 — CID 59646170

IUPAC2-[(2-methylphenyl)methyl]benzene-1,4-diamine
SMILESCc1ccccc1Cc1cc(N)ccc1N
InChIInChI=1S/C14H16N2/c1-10-4-2-3-5-11(10)8-12-9-13(15)6-7-14(12)16/h2-7,9H,8,15-16H2,1H3
InChIKeyLEMNQBFWSPNPOB-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.75
Rot. Bonds2

About 2-[(2-methylphenyl)methyl]benzene-1,4-diamine

2-[(2-methylphenyl)methyl]benzene-1,4-diamine (PubChem CID 59646170) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]benzene-1,4-diamine
PubChem CID59646170
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name2-[(2-methylphenyl)methyl]benzene-1,4-diamine
SMILESCc1ccccc1Cc1cc(N)ccc1N
InChIInChI=1S/C14H16N2/c1-10-4-2-3-5-11(10)8-12-9-13(15)6-7-14(12)16/h2-7,9H,8,15-16H2,1H3
InChIKeyLEMNQBFWSPNPOB-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
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-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
CID 175547385
4-chloro-2-[(2-methylphenyl)methyl]aniline
CID 105490375
2-[(2,5-diaminophenyl)methyl]phenol
CID 59646189
3-[(2-methylphenyl)methyl]aniline
CID 116925822
4-benzyl-3-methylaniline
CID 12846586
3-methyl-4-[(2-methylphenyl)methylsulfanyl]aniline
CID 43303257
4-methyl-3-(methylaminomethyl)aniline
CID 45078677
9-[(2-methylphenyl)methyl]carbazole-2,7-diamine
CID 134294518
3-ethyl-4-methylaniline;hydrochloride
CID 23499109
3-(2-aminoethyl)-4-methylaniline
CID 83384141
6-[(2-aminophenyl)methyl]benzene-1,2,4-triamine
CID 101277558
2-[(2-methylphenyl)methylsulfanylmethyl]aniline
CID 62055179

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]benzene-1,4-diamine?
The IUPAC name of 2-[(2-methylphenyl)methyl]benzene-1,4-diamine (CID 59646170) is 2-[(2-methylphenyl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]benzene-1,4-diamine?
The canonical SMILES for 2-[(2-methylphenyl)methyl]benzene-1,4-diamine is Cc1ccccc1Cc1cc(N)ccc1N.
What is the InChIKey of 2-[(2-methylphenyl)methyl]benzene-1,4-diamine?
The InChIKey is LEMNQBFWSPNPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-10-4-2-3-5-11(10)8-12-9-13(15)6-7-14(12)16/h2-7,9H,8,15-16H2,1H3.
What are the key properties of 2-[(2-methylphenyl)methyl]benzene-1,4-diamine?
2-[(2-methylphenyl)methyl]benzene-1,4-diamine has a molecular weight of 212.30 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 59646170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).