4-methoxy-3-phenylbenzene-1,2-diamine

C13H14N2O — CID 174361445

IUPAC4-methoxy-3-phenylbenzene-1,2-diamine
SMILESCOc1ccc(N)c(N)c1-c1ccccc1
InChIInChI=1S/C13H14N2O/c1-16-11-8-7-10(14)13(15)12(11)9-5-3-2-4-6-9/h2-8H,14-15H2,1H3
InChIKeyWJYOTIFXBOGHJS-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.53
Rot. Bonds2

About 4-methoxy-3-phenylbenzene-1,2-diamine

4-methoxy-3-phenylbenzene-1,2-diamine (PubChem CID 174361445) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-methoxy-3-phenylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-3-phenylbenzene-1,2-diamine
PubChem CID174361445
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name4-methoxy-3-phenylbenzene-1,2-diamine
SMILESCOc1ccc(N)c(N)c1-c1ccccc1
InChIInChI=1S/C13H14N2O/c1-16-11-8-7-10(14)13(15)12(11)9-5-3-2-4-6-9/h2-8H,14-15H2,1H3
InChIKeyWJYOTIFXBOGHJS-UHFFFAOYSA-N
XLogP2.53
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.53
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

2,4-dimethoxy-3-phenylaniline
CID 165495221
1,3-dimethoxy-2-phenylbenzene;hydrochloride
CID 175871248
4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;benzene
CID 157477717
3-chloro-4-methoxybenzene-1,2-diamine
CID 122129593
2-methoxy-1-[2-(2-methoxynaphthalen-1-yl)-3,4,5,6-tetraphenylphenyl]naphthalene
CID 11017918
6-methoxy-7-(6-methoxy-3-methyl-2-phenyl-1-benzofuran-7-yl)-3-methyl-2-phenyl-1-benzofuran
CID 163463358
2,4,6-triphenylbenzene-1,3,5-triamine
CID 22926582
3-(4-bromophenyl)-2,4-dimethoxyaniline
CID 174856580
(4-methoxy-2,3-diphenylphenyl)sulfanium hexafluorophosphate
CID 139668429
4-(3,4-diamino-2-phenylphenyl)sulfinyl-3-phenylbenzene-1,2-diamine
CID 54423063
6,7-dimethoxy-2-phenylnaphthalen-1-amine
CID 11208231
bis(3-methoxy-2-phenylphenyl)methanone
CID 141103935

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-phenylbenzene-1,2-diamine?
The IUPAC name of 4-methoxy-3-phenylbenzene-1,2-diamine (CID 174361445) is 4-methoxy-3-phenylbenzene-1,2-diamine.
What is the SMILES notation for 4-methoxy-3-phenylbenzene-1,2-diamine?
The canonical SMILES for 4-methoxy-3-phenylbenzene-1,2-diamine is COc1ccc(N)c(N)c1-c1ccccc1.
What is the InChIKey of 4-methoxy-3-phenylbenzene-1,2-diamine?
The InChIKey is WJYOTIFXBOGHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-16-11-8-7-10(14)13(15)12(11)9-5-3-2-4-6-9/h2-8H,14-15H2,1H3.
What are the key properties of 4-methoxy-3-phenylbenzene-1,2-diamine?
4-methoxy-3-phenylbenzene-1,2-diamine has a molecular weight of 214.27 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-phenylbenzene-1,2-diamine is sourced from PubChem (CID 174361445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).