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

C13H14N2O — CID 4764089

IUPAC4-N-(3-methoxyphenyl)benzene-1,4-diamine
SMILESCOc1cccc(Nc2ccc(N)cc2)c1
InChIInChI=1S/C13H14N2O/c1-16-13-4-2-3-12(9-13)15-11-7-5-10(14)6-8-11/h2-9,15H,14H2,1H3
InChIKeyHKUTXVKTVXDDRO-UHFFFAOYSA-N
MW214.27 g/mol
LogP3.02
Rot. Bonds3

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

4-N-(3-methoxyphenyl)benzene-1,4-diamine (PubChem CID 4764089) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-N-(3-methoxyphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-methoxyphenyl)benzene-1,4-diamine
PubChem CID4764089
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name4-N-(3-methoxyphenyl)benzene-1,4-diamine
SMILESCOc1cccc(Nc2ccc(N)cc2)c1
InChIInChI=1S/C13H14N2O/c1-16-13-4-2-3-12(9-13)15-11-7-5-10(14)6-8-11/h2-9,15H,14H2,1H3
InChIKeyHKUTXVKTVXDDRO-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Desmedipham
CID 24743
3-Methoxyaniline
CID 10824
4,4'-Dimethoxydiphenylamine
CID 7571
4-Isopropoxydiphenylamine
CID 7574
N-(3-methoxyphenyl)piperazine
CID 81430
3-Hydroxy-N-phenylaniline
CID 7546
3'-Ethoxyacetanilide
CID 11570
Acetamide, N-(3-methoxyphenyl)-
CID 11494
N-(p-Methoxyphenyl)-p-phenylenediamine hydrochloride
CID 77108
1,4-Benzenediamine, N1-(4-methoxyphenyl)-
CID 66869
3-Ureidoanisole
CID 101483
N,N'-Bis(3-methoxyphenyl)methanimidamide
CID 18544

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxyphenyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(3-methoxyphenyl)benzene-1,4-diamine (CID 4764089) is 4-N-(3-methoxyphenyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(3-methoxyphenyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(3-methoxyphenyl)benzene-1,4-diamine is COc1cccc(Nc2ccc(N)cc2)c1.
What is the InChIKey of 4-N-(3-methoxyphenyl)benzene-1,4-diamine?
The InChIKey is HKUTXVKTVXDDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-16-13-4-2-3-12(9-13)15-11-7-5-10(14)6-8-11/h2-9,15H,14H2,1H3.
What are the key properties of 4-N-(3-methoxyphenyl)benzene-1,4-diamine?
4-N-(3-methoxyphenyl)benzene-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 4-N-(3-methoxyphenyl)benzene-1,4-diamine is sourced from PubChem (CID 4764089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).