4-methyl-N-[(4-nitrophenyl)methyl]aniline

C14H14N2O2 — CID 1132994

IUPAC4-methyl-N-[(4-nitrophenyl)methyl]aniline
SMILESCc1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H14N2O2/c1-11-2-6-13(7-3-11)15-10-12-4-8-14(9-5-12)16(17)18/h2-9,15H,10H2,1H3
InChIKeyQJLKTGPOJYVUEU-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.52
Rot. Bonds4

About 4-methyl-N-[(4-nitrophenyl)methyl]aniline

4-methyl-N-[(4-nitrophenyl)methyl]aniline (PubChem CID 1132994) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-methyl-N-[(4-nitrophenyl)methyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[(4-nitrophenyl)methyl]aniline
PubChem CID1132994
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name4-methyl-N-[(4-nitrophenyl)methyl]aniline
SMILESCc1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H14N2O2/c1-11-2-6-13(7-3-11)15-10-12-4-8-14(9-5-12)16(17)18/h2-9,15H,10H2,1H3
InChIKeyQJLKTGPOJYVUEU-UHFFFAOYSA-N
XLogP3.52
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-nitro-N-[(4-nitrophenyl)methyl]aniline
CID 60876177
1-(4-methylphenyl)-N-[(4-nitrophenyl)methyl]methanamine;hydrochloride
CID 17332527
4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline
CID 3313778
2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide
CID 43724024
4-nitro-N-(pyridin-4-ylmethyl)aniline
CID 3927656
N-[(4-nitrophenyl)methyl]-4-(trifluoromethyl)aniline
CID 22353776
2,5-dimethyl-N-[(4-nitrophenyl)methyl]aniline
CID 1133059
1-methyl-4-[2-(4-nitrophenyl)ethyl]benzene
CID 70154715
4-methyl-N-[[5-(4-nitrophenyl)furan-2-yl]methyl]aniline
CID 956234
N-(3-methylphenyl)-2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide
CID 42852606
N-[(3,4-difluorophenyl)methyl]-4-nitroaniline
CID 43425353
3-bromo-N-[(4-methylphenyl)methyl]-4-nitroaniline
CID 82864429

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-nitrophenyl)methyl]aniline?
The IUPAC name of 4-methyl-N-[(4-nitrophenyl)methyl]aniline (CID 1132994) is 4-methyl-N-[(4-nitrophenyl)methyl]aniline.
What is the SMILES notation for 4-methyl-N-[(4-nitrophenyl)methyl]aniline?
The canonical SMILES for 4-methyl-N-[(4-nitrophenyl)methyl]aniline is Cc1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-methyl-N-[(4-nitrophenyl)methyl]aniline?
The InChIKey is QJLKTGPOJYVUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-11-2-6-13(7-3-11)15-10-12-4-8-14(9-5-12)16(17)18/h2-9,15H,10H2,1H3.
What are the key properties of 4-methyl-N-[(4-nitrophenyl)methyl]aniline?
4-methyl-N-[(4-nitrophenyl)methyl]aniline has a molecular weight of 242.28 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-nitrophenyl)methyl]aniline is sourced from PubChem (CID 1132994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).