(4-nitrophenyl)-phenylmethanamine

C13H12N2O2 — CID 19975165

IUPAC(4-nitrophenyl)-phenylmethanamine
SMILESNC(c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H12N2O2/c14-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)15(16)17/h1-9,13H,14H2
InChIKeyFWRGMZNHSCDIAZ-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.64
Rot. Bonds3

About (4-nitrophenyl)-phenylmethanamine

(4-nitrophenyl)-phenylmethanamine (PubChem CID 19975165) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is (4-nitrophenyl)-phenylmethanamine.

Molecular Properties

Compound Name(4-nitrophenyl)-phenylmethanamine
PubChem CID19975165
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name(4-nitrophenyl)-phenylmethanamine
SMILESNC(c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H12N2O2/c14-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)15(16)17/h1-9,13H,14H2
InChIKeyFWRGMZNHSCDIAZ-UHFFFAOYSA-N
XLogP2.64
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.64
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

1-nitro-4-(1-phenylethyl)benzene
CID 11790935
(S)-(4-nitrophenyl)-phenylmethanol
CID 15555304
1-[benzhydrylsulfanyl(phenyl)methyl]-4-nitrobenzene
CID 172821851
(S)-(4-nitrophenyl)-thiophen-3-ylmethanamine
CID 171198265
N-[1-(4-nitrophenyl)ethyl]-1-phenylethanamine
CID 43297246
(1R)-1-(4-nitrophenyl)prop-2-yn-1-amine
CID 97036638
nitro(phenyl)methanamine
CID 174706034
azane;nitrobenzene
CID 23197461
benzene;iron;nitrobenzene
CID 174446919
calcium nitrobenzene
CID 67916702
arsane;nitrobenzene
CID 174282180
azanium nitrobenzene
CID 22989049

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)-phenylmethanamine?
The IUPAC name of (4-nitrophenyl)-phenylmethanamine (CID 19975165) is (4-nitrophenyl)-phenylmethanamine.
What is the SMILES notation for (4-nitrophenyl)-phenylmethanamine?
The canonical SMILES for (4-nitrophenyl)-phenylmethanamine is NC(c1ccccc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4-nitrophenyl)-phenylmethanamine?
The InChIKey is FWRGMZNHSCDIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c14-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)15(16)17/h1-9,13H,14H2.
What are the key properties of (4-nitrophenyl)-phenylmethanamine?
(4-nitrophenyl)-phenylmethanamine has a molecular weight of 228.25 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)-phenylmethanamine is sourced from PubChem (CID 19975165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).