N-[(2-nitrophenyl)methyl]-1,1-diphenylmethanamine

C20H18N2O2 — CID 30789921

IUPACN-[(2-nitrophenyl)methyl]-1,1-diphenylmethanamine
SMILESO=[N+]([O-])c1ccccc1CNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18N2O2/c23-22(24)19-14-8-7-13-18(19)15-21-20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,20-21H,15H2
InChIKeyJLXBJIPRJCFVRS-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.47
Rot. Bonds6

About N-[(2-nitrophenyl)methyl]-1,1-diphenylmethanamine

N-[(2-nitrophenyl)methyl]-1,1-diphenylmethanamine (PubChem CID 30789921) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(2-nitrophenyl)methyl]-1,1-diphenylmethanamine.

Molecular Properties

Compound NameN-[(2-nitrophenyl)methyl]-1,1-diphenylmethanamine
PubChem CID30789921
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC NameN-[(2-nitrophenyl)methyl]-1,1-diphenylmethanamine
SMILESO=[N+]([O-])c1ccccc1CNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18N2O2/c23-22(24)19-14-8-7-13-18(19)15-21-20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,20-21H,15H2
InChIKeyJLXBJIPRJCFVRS-UHFFFAOYSA-N
XLogP4.47
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.47
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

(1R)-N-[(2-nitrophenyl)methyl]-1-phenylethanamine
CID 28564784
N-[(2-nitrophenyl)methyl]-1,2-diphenylethanamine
CID 2851831
3-[(2-nitrophenyl)methylamino]-3-phenylpropanenitrile
CID 62778720
N-[(2-nitrophenyl)methyl]pentan-3-amine
CID 28566580
N-[(2-nitrophenyl)methyl]-4-phenylbutan-2-amine
CID 43182145
(1R)-1-(3-bromophenyl)-N-[(2-nitrophenyl)methyl]ethanamine
CID 81371840
3-[1-[(2-nitrophenyl)methylamino]ethyl]phenol
CID 43748437
4-methyl-3-[(2-nitrophenyl)methylamino]pentanoic acid
CID 3271868
(2-nitrophenyl)methylcarbamic acid
CID 18621803
N-ethyl-2-(2-nitrophenyl)-1-phenylethanamine
CID 12915155
1-(4-ethylphenyl)-N-[(2-nitrophenyl)methyl]ethanamine
CID 43223746
3-[(2-nitrophenyl)methylamino]-2-phenylpropanenitrile
CID 64536630

Frequently Asked Questions

What is the IUPAC name of N-[(2-nitrophenyl)methyl]-1,1-diphenylmethanamine?
The IUPAC name of N-[(2-nitrophenyl)methyl]-1,1-diphenylmethanamine (CID 30789921) is N-[(2-nitrophenyl)methyl]-1,1-diphenylmethanamine.
What is the SMILES notation for N-[(2-nitrophenyl)methyl]-1,1-diphenylmethanamine?
The canonical SMILES for N-[(2-nitrophenyl)methyl]-1,1-diphenylmethanamine is O=[N+]([O-])c1ccccc1CNC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2-nitrophenyl)methyl]-1,1-diphenylmethanamine?
The InChIKey is JLXBJIPRJCFVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c23-22(24)19-14-8-7-13-18(19)15-21-20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,20-21H,15H2.
What are the key properties of N-[(2-nitrophenyl)methyl]-1,1-diphenylmethanamine?
N-[(2-nitrophenyl)methyl]-1,1-diphenylmethanamine has a molecular weight of 318.38 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-nitrophenyl)methyl]-1,1-diphenylmethanamine is sourced from PubChem (CID 30789921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).