N-[(4-methylphenyl)methyl]-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine

C22H22N2O2 — CID 118070261

IUPACN-[(4-methylphenyl)methyl]-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine
SMILESCc1ccc(CN(Cc2ccccc2)Cc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C22H22N2O2/c1-18-7-9-20(10-8-18)16-23(15-19-5-3-2-4-6-19)17-21-11-13-22(14-12-21)24(25)26/h2-14H,15-17H2,1H3
InChIKeyDERSAJDKBFHTKW-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.11
Rot. Bonds7

About N-[(4-methylphenyl)methyl]-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine

N-[(4-methylphenyl)methyl]-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine (PubChem CID 118070261) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine
PubChem CID118070261
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-[(4-methylphenyl)methyl]-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine
SMILESCc1ccc(CN(Cc2ccccc2)Cc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C22H22N2O2/c1-18-7-9-20(10-8-18)16-23(15-19-5-3-2-4-6-19)17-21-11-13-22(14-12-21)24(25)26/h2-14H,15-17H2,1H3
InChIKeyDERSAJDKBFHTKW-UHFFFAOYSA-N
XLogP5.11
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.11
H-Bond Donors ≤ 50
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-benzyl-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine
CID 23507092
N,N-dibenzyl-2-(4-nitrophenyl)ethanamine
CID 11057117
1-methyl-4-[2-(4-nitrophenyl)ethyl]benzene
CID 70154715
1-methyl-4-nitrobenzene;hydrofluoride
CID 174946488
benzenethiol;1-methyl-4-nitrobenzene
CID 159323045
1-methyl-4-nitrobenzene;molecular nitrogen
CID 175124528
N'-(2-aminoethyl)-N'-[(4-nitrophenyl)methyl]ethane-1,2-diamine
CID 14697636
diphenylmethanone;1-methyl-4-nitrobenzene
CID 160968328
1-(4-methylphenyl)-N-[(4-nitrophenyl)methyl]methanamine;hydrochloride
CID 17332527
ethanol;1-methyl-4-nitrobenzene
CID 91088173
N-benzyl-4-methyl-N-[8-(4-nitrophenyl)octa-1,3,5,7-tetraynyl]benzenesulfonamide
CID 135069917
N-benzyl-N-ethyl-2-(4-nitrophenyl)ethanamine;1-(2-bromoethyl)-4-nitrobenzene;butylbenzene
CID 159001909

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(4-methylphenyl)methyl]-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine (CID 118070261) is N-[(4-methylphenyl)methyl]-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine is Cc1ccc(CN(Cc2ccccc2)Cc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine?
The InChIKey is DERSAJDKBFHTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-18-7-9-20(10-8-18)16-23(15-19-5-3-2-4-6-19)17-21-11-13-22(14-12-21)24(25)26/h2-14H,15-17H2,1H3.
What are the key properties of N-[(4-methylphenyl)methyl]-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine?
N-[(4-methylphenyl)methyl]-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine has a molecular weight of 346.43 g/mol, XLogP of 5.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 118070261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).