4-N-(3-phenylmethoxyphenyl)benzene-1,4-diamine

C19H18N2O — CID 171831022

IUPAC4-N-(3-phenylmethoxyphenyl)benzene-1,4-diamine
SMILESNc1ccc(Nc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C19H18N2O/c20-16-9-11-17(12-10-16)21-18-7-4-8-19(13-18)22-14-15-5-2-1-3-6-15/h1-13,21H,14,20H2
InChIKeyGGZLEJRWZXWBJH-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.59
Rot. Bonds5

About 4-N-(3-phenylmethoxyphenyl)benzene-1,4-diamine

4-N-(3-phenylmethoxyphenyl)benzene-1,4-diamine (PubChem CID 171831022) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-N-(3-phenylmethoxyphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-phenylmethoxyphenyl)benzene-1,4-diamine
PubChem CID171831022
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name4-N-(3-phenylmethoxyphenyl)benzene-1,4-diamine
SMILESNc1ccc(Nc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C19H18N2O/c20-16-9-11-17(12-10-16)21-18-7-4-8-19(13-18)22-14-15-5-2-1-3-6-15/h1-13,21H,14,20H2
InChIKeyGGZLEJRWZXWBJH-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3-phenylmethoxyanilino)phenyl]ethanone
CID 174285774
(3-phenylmethoxyphenyl)hydrazine;hydrochloride
CID 12891839
3-[(4-ethenylphenyl)methoxy]-N-phenylaniline
CID 22052676
4-(3-phenylmethoxyphenoxy)aniline
CID 89036367
N-benzyl-3-phenylmethoxyaniline
CID 54801332
4-phenylmethoxyaniline
CID 159966727
4-(phenoxymethyl)aniline
CID 12712561
1-N-phenyl-4-phenylmethoxybenzene-1,2-diamine
CID 70695574
N-(3-phenylmethoxyphenyl)formamide
CID 87791021
N-tert-butyl-3-phenylmethoxyaniline
CID 58745609
6-bromo-N-(3-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 90989523
6-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine
CID 130566009

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-phenylmethoxyphenyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(3-phenylmethoxyphenyl)benzene-1,4-diamine (CID 171831022) is 4-N-(3-phenylmethoxyphenyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(3-phenylmethoxyphenyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(3-phenylmethoxyphenyl)benzene-1,4-diamine is Nc1ccc(Nc2cccc(OCc3ccccc3)c2)cc1.
What is the InChIKey of 4-N-(3-phenylmethoxyphenyl)benzene-1,4-diamine?
The InChIKey is GGZLEJRWZXWBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c20-16-9-11-17(12-10-16)21-18-7-4-8-19(13-18)22-14-15-5-2-1-3-6-15/h1-13,21H,14,20H2.
What are the key properties of 4-N-(3-phenylmethoxyphenyl)benzene-1,4-diamine?
4-N-(3-phenylmethoxyphenyl)benzene-1,4-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 4-N-(3-phenylmethoxyphenyl)benzene-1,4-diamine is sourced from PubChem (CID 171831022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).