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

C13H14N2O — CID 22062515

IUPAC2-methoxy-1-N-phenylbenzene-1,4-diamine
SMILESCOc1cc(N)ccc1Nc1ccccc1
InChIInChI=1S/C13H14N2O/c1-16-13-9-10(14)7-8-12(13)15-11-5-3-2-4-6-11/h2-9,15H,14H2,1H3
InChIKeyCAJQEKGSQFRCFV-UHFFFAOYSA-N
MW214.27 g/mol
LogP3.02
Rot. Bonds3

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

2-methoxy-1-N-phenylbenzene-1,4-diamine (PubChem CID 22062515) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-methoxy-1-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-methoxy-1-N-phenylbenzene-1,4-diamine
PubChem CID22062515
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-methoxy-1-N-phenylbenzene-1,4-diamine
SMILESCOc1cc(N)ccc1Nc1ccccc1
InChIInChI=1S/C13H14N2O/c1-16-13-9-10(14)7-8-12(13)15-11-5-3-2-4-6-11/h2-9,15H,14H2,1H3
InChIKeyCAJQEKGSQFRCFV-UHFFFAOYSA-N
XLogP3.02
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 53.02
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

2,4,5-trimethoxy-N-phenylaniline
CID 151522704
2-methoxy-N-phenylaniline
CID 10910514
4-(4-aminoanilino)-3-methoxybenzonitrile
CID 104847876
4-methoxy-N-phenylthiophen-3-amine
CID 148688477
1-N-ethyl-2-methoxybenzene-1,4-diamine
CID 23391843
1-N-iodo-2-methoxy-4-N-phenylbenzene-1,4-diamine
CID 154558823
3-N-(2,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine
CID 62588272
1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine
CID 19024304
5-methoxy-3-N-(2-methoxyphenyl)benzene-1,3-diamine
CID 80722898
2-methoxy-1-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-diamine
CID 82059206
2-[4-(4-amino-2-methoxyanilino)-2,5-dihydroxyanilino]acetaldehyde
CID 123986700
3-acetamido-N-(4-amino-2-methoxyphenyl)benzamide
CID 28867873

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-N-phenylbenzene-1,4-diamine?
The IUPAC name of 2-methoxy-1-N-phenylbenzene-1,4-diamine (CID 22062515) is 2-methoxy-1-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 2-methoxy-1-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 2-methoxy-1-N-phenylbenzene-1,4-diamine is COc1cc(N)ccc1Nc1ccccc1.
What is the InChIKey of 2-methoxy-1-N-phenylbenzene-1,4-diamine?
The InChIKey is CAJQEKGSQFRCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-16-13-9-10(14)7-8-12(13)15-11-5-3-2-4-6-11/h2-9,15H,14H2,1H3.
What are the key properties of 2-methoxy-1-N-phenylbenzene-1,4-diamine?
2-methoxy-1-N-phenylbenzene-1,4-diamine has a molecular weight of 214.27 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 22062515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).