1-(4-methylphenyl)-N-[(4-nitrophenyl)methyl]methanamine;hydrochloride

C15H17ClN2O2 — CID 17332527

IUPAC1-(4-methylphenyl)-N-[(4-nitrophenyl)methyl]methanamine;hydrochloride
SMILESCc1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1.Cl
InChIInChI=1S/C15H16N2O2.ClH/c1-12-2-4-13(5-3-12)10-16-11-14-6-8-15(9-7-14)17(18)19;/h2-9,16H,10-11H2,1H3;1H
InChIKeyCCNFNAPEBKIGGG-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.61
Rot. Bonds5

About 1-(4-methylphenyl)-N-[(4-nitrophenyl)methyl]methanamine;hydrochloride

1-(4-methylphenyl)-N-[(4-nitrophenyl)methyl]methanamine;hydrochloride (PubChem CID 17332527) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[(4-nitrophenyl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[(4-nitrophenyl)methyl]methanamine;hydrochloride
PubChem CID17332527
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name1-(4-methylphenyl)-N-[(4-nitrophenyl)methyl]methanamine;hydrochloride
SMILESCc1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1.Cl
InChIInChI=1S/C15H16N2O2.ClH/c1-12-2-4-13(5-3-12)10-16-11-14-6-8-15(9-7-14)17(18)19;/h2-9,16H,10-11H2,1H3;1H
InChIKeyCCNFNAPEBKIGGG-UHFFFAOYSA-N
XLogP3.61
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.61
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

N-[(3,5-dimethylphenyl)methyl]-1-(4-nitrophenyl)methanamine
CID 61030106
N-[(2,4-dimethylphenyl)methyl]-1-(4-nitrophenyl)methanamine
CID 60875777
4-methyl-N-[(4-nitrophenyl)methyl]aniline
CID 1132994
1-methyl-4-[2-(4-nitrophenyl)ethyl]benzene
CID 70154715
1-(4-nitrophenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrochloride
CID 17293373
1-methyl-4-nitrobenzene;hydrofluoride
CID 174946488
N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-nitrophenyl)methanamine
CID 60704987
2,2-dimethyl-N-[(4-nitrophenyl)methyl]propan-1-amine
CID 61167196
1-methyl-4-nitrobenzene;molecular nitrogen
CID 175124528
N-[(4-nitrophenyl)methyl]hydroxylamine;hydrochloride
CID 86662371
N'-[(4-nitrophenyl)methyl]ethane-1,2-diamine
CID 57030248
ethanol;1-methyl-4-nitrobenzene
CID 91088173

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[(4-nitrophenyl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-(4-methylphenyl)-N-[(4-nitrophenyl)methyl]methanamine;hydrochloride (CID 17332527) is 1-(4-methylphenyl)-N-[(4-nitrophenyl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(4-methylphenyl)-N-[(4-nitrophenyl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(4-methylphenyl)-N-[(4-nitrophenyl)methyl]methanamine;hydrochloride is Cc1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1.Cl.
What is the InChIKey of 1-(4-methylphenyl)-N-[(4-nitrophenyl)methyl]methanamine;hydrochloride?
The InChIKey is CCNFNAPEBKIGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2.ClH/c1-12-2-4-13(5-3-12)10-16-11-14-6-8-15(9-7-14)17(18)19;/h2-9,16H,10-11H2,1H3;1H.
What are the key properties of 1-(4-methylphenyl)-N-[(4-nitrophenyl)methyl]methanamine;hydrochloride?
1-(4-methylphenyl)-N-[(4-nitrophenyl)methyl]methanamine;hydrochloride has a molecular weight of 292.77 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[(4-nitrophenyl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 17332527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).