4-methoxy-1-N-phenyl-5-phenylmethoxybenzene-1,2-diamine

C20H20N2O2 — CID 72699042

IUPAC4-methoxy-1-N-phenyl-5-phenylmethoxybenzene-1,2-diamine
SMILESCOc1cc(N)c(Nc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C20H20N2O2/c1-23-19-12-17(21)18(22-16-10-6-3-7-11-16)13-20(19)24-14-15-8-4-2-5-9-15/h2-13,22H,14,21H2,1H3
InChIKeyFLCVXXDKMLZEIS-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.60
Rot. Bonds6

About 4-methoxy-1-N-phenyl-5-phenylmethoxybenzene-1,2-diamine

4-methoxy-1-N-phenyl-5-phenylmethoxybenzene-1,2-diamine (PubChem CID 72699042) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-methoxy-1-N-phenyl-5-phenylmethoxybenzene-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-1-N-phenyl-5-phenylmethoxybenzene-1,2-diamine
PubChem CID72699042
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name4-methoxy-1-N-phenyl-5-phenylmethoxybenzene-1,2-diamine
SMILESCOc1cc(N)c(Nc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C20H20N2O2/c1-23-19-12-17(21)18(22-16-10-6-3-7-11-16)13-20(19)24-14-15-8-4-2-5-9-15/h2-13,22H,14,21H2,1H3
InChIKeyFLCVXXDKMLZEIS-UHFFFAOYSA-N
XLogP4.60
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-1-N-phenyl-5-phenylmethoxybenzene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-dimethoxy-2-N-[3-(methoxymethyl)phenyl]benzene-1,2-diamine
CID 83004428
1-N-phenyl-4-phenylmethoxybenzene-1,2-diamine
CID 70695574
2-N-benzyl-4,5-dimethoxybenzene-1,2-diamine
CID 13230181
2,4,5-trimethoxy-N-phenylaniline
CID 151522704
3-methoxy-4-phenylmethoxyaniline
CID 27226
4-methoxy-2-(3-methoxyphenyl)-5-phenylmethoxyaniline
CID 66880803
4,5-dimethoxy-2-N-(2-propylphenyl)benzene-1,2-diamine
CID 83004444
4-(2-amino-4,5-dimethoxyanilino)benzonitrile
CID 83001038
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
2-methoxy-1-N-phenylbenzene-1,4-diamine
CID 22062515
prop-2-ynoyl 2-amino-4-methoxy-5-phenylmethoxybenzoate
CID 167352804

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-N-phenyl-5-phenylmethoxybenzene-1,2-diamine?
The IUPAC name of 4-methoxy-1-N-phenyl-5-phenylmethoxybenzene-1,2-diamine (CID 72699042) is 4-methoxy-1-N-phenyl-5-phenylmethoxybenzene-1,2-diamine.
What is the SMILES notation for 4-methoxy-1-N-phenyl-5-phenylmethoxybenzene-1,2-diamine?
The canonical SMILES for 4-methoxy-1-N-phenyl-5-phenylmethoxybenzene-1,2-diamine is COc1cc(N)c(Nc2ccccc2)cc1OCc1ccccc1.
What is the InChIKey of 4-methoxy-1-N-phenyl-5-phenylmethoxybenzene-1,2-diamine?
The InChIKey is FLCVXXDKMLZEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-23-19-12-17(21)18(22-16-10-6-3-7-11-16)13-20(19)24-14-15-8-4-2-5-9-15/h2-13,22H,14,21H2,1H3.
What are the key properties of 4-methoxy-1-N-phenyl-5-phenylmethoxybenzene-1,2-diamine?
4-methoxy-1-N-phenyl-5-phenylmethoxybenzene-1,2-diamine has a molecular weight of 320.39 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-N-phenyl-5-phenylmethoxybenzene-1,2-diamine is sourced from PubChem (CID 72699042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).