1-N-phenyl-4-phenylmethoxybenzene-1,2-diamine

C19H18N2O — CID 70695574

IUPAC1-N-phenyl-4-phenylmethoxybenzene-1,2-diamine
SMILESNc1cc(OCc2ccccc2)ccc1Nc1ccccc1
InChIInChI=1S/C19H18N2O/c20-18-13-17(22-14-15-7-3-1-4-8-15)11-12-19(18)21-16-9-5-2-6-10-16/h1-13,21H,14,20H2
InChIKeyQWVLECAXWJVYSE-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.59
Rot. Bonds5

About 1-N-phenyl-4-phenylmethoxybenzene-1,2-diamine

1-N-phenyl-4-phenylmethoxybenzene-1,2-diamine (PubChem CID 70695574) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-N-phenyl-4-phenylmethoxybenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-phenyl-4-phenylmethoxybenzene-1,2-diamine
PubChem CID70695574
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name1-N-phenyl-4-phenylmethoxybenzene-1,2-diamine
SMILESNc1cc(OCc2ccccc2)ccc1Nc1ccccc1
InChIInChI=1S/C19H18N2O/c20-18-13-17(22-14-15-7-3-1-4-8-15)11-12-19(18)21-16-9-5-2-6-10-16/h1-13,21H,14,20H2
InChIKeyQWVLECAXWJVYSE-UHFFFAOYSA-N
XLogP4.59
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-(3-phenylmethoxyphenyl)benzene-1,4-diamine
CID 171831022
4-methoxy-1-N-phenyl-5-phenylmethoxybenzene-1,2-diamine
CID 72699042
2-bromo-N-(4-fluorophenyl)-4-phenylmethoxyaniline
CID 156877235
N,2-dimethyl-4-phenylmethoxyaniline;2-methyl-4-phenylmethoxyaniline
CID 158131264
2-N-(3-phenylmethoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,2-diamine
CID 86689306
(3-phenylmethoxyphenyl)hydrazine;hydrochloride
CID 12891839
2-(aminomethyl)-4-phenylmethoxyaniline
CID 156839624
2-amino-4-phenylmethoxybenzenesulfonamide
CID 79466915
5-phenylmethoxy-2-pyrrol-1-ylaniline
CID 10587700
N-[3-(2-methoxyethoxy)phenyl]-2-methyl-4-phenylmethoxyaniline
CID 146295838
4-phenylmethoxyaniline
CID 159966727
4-phenylmethoxy-2-(phenylmethoxymethyl)aniline
CID 58999316

Frequently Asked Questions

What is the IUPAC name of 1-N-phenyl-4-phenylmethoxybenzene-1,2-diamine?
The IUPAC name of 1-N-phenyl-4-phenylmethoxybenzene-1,2-diamine (CID 70695574) is 1-N-phenyl-4-phenylmethoxybenzene-1,2-diamine.
What is the SMILES notation for 1-N-phenyl-4-phenylmethoxybenzene-1,2-diamine?
The canonical SMILES for 1-N-phenyl-4-phenylmethoxybenzene-1,2-diamine is Nc1cc(OCc2ccccc2)ccc1Nc1ccccc1.
What is the InChIKey of 1-N-phenyl-4-phenylmethoxybenzene-1,2-diamine?
The InChIKey is QWVLECAXWJVYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c20-18-13-17(22-14-15-7-3-1-4-8-15)11-12-19(18)21-16-9-5-2-6-10-16/h1-13,21H,14,20H2.
What are the key properties of 1-N-phenyl-4-phenylmethoxybenzene-1,2-diamine?
1-N-phenyl-4-phenylmethoxybenzene-1,2-diamine has a molecular weight of 290.37 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-phenyl-4-phenylmethoxybenzene-1,2-diamine is sourced from PubChem (CID 70695574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).