5-methoxy-3-N-(2-methoxyphenyl)benzene-1,3-diamine

C14H16N2O2 — CID 80722898

IUPAC5-methoxy-3-N-(2-methoxyphenyl)benzene-1,3-diamine
SMILESCOc1cc(N)cc(Nc2ccccc2OC)c1
InChIInChI=1S/C14H16N2O2/c1-17-12-8-10(15)7-11(9-12)16-13-5-3-4-6-14(13)18-2/h3-9,16H,15H2,1-2H3
InChIKeyQAMTYFPUZSQGJN-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.03
Rot. Bonds4

About 5-methoxy-3-N-(2-methoxyphenyl)benzene-1,3-diamine

5-methoxy-3-N-(2-methoxyphenyl)benzene-1,3-diamine (PubChem CID 80722898) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-methoxy-3-N-(2-methoxyphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-methoxy-3-N-(2-methoxyphenyl)benzene-1,3-diamine
PubChem CID80722898
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name5-methoxy-3-N-(2-methoxyphenyl)benzene-1,3-diamine
SMILESCOc1cc(N)cc(Nc2ccccc2OC)c1
InChIInChI=1S/C14H16N2O2/c1-17-12-8-10(15)7-11(9-12)16-13-5-3-4-6-14(13)18-2/h3-9,16H,15H2,1-2H3
InChIKeyQAMTYFPUZSQGJN-UHFFFAOYSA-N
XLogP3.03
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-5-methoxyanilino)benzonitrile
CID 80721669
3-N-(2-chloro-3-methylphenyl)-5-methoxybenzene-1,3-diamine
CID 114251434
5-methoxy-3-N-(3-methoxyphenyl)benzene-1,3-diamine
CID 80722123
1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine
CID 19024304
2-methoxy-N-phenylaniline
CID 10910514
5-methoxy-3-N-quinolin-8-ylbenzene-1,3-diamine
CID 80723302
3-N-(2-chloro-4-methylphenyl)-5-methoxybenzene-1,3-diamine
CID 80723730
3-N-(5-fluoro-2-methylphenyl)-5-methoxybenzene-1,3-diamine
CID 80722407
N-(3,5-dimethoxyphenyl)-2,3-dimethoxyaniline
CID 171920076
3-N-(2,6-dichlorophenyl)-5-methoxybenzene-1,3-diamine
CID 80735790
2-N-(3-bromo-5-methoxyphenyl)benzene-1,2-diamine
CID 82857715
3-N-(3,5-dimethoxyphenyl)benzene-1,3-diamine
CID 43132798

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-N-(2-methoxyphenyl)benzene-1,3-diamine?
The IUPAC name of 5-methoxy-3-N-(2-methoxyphenyl)benzene-1,3-diamine (CID 80722898) is 5-methoxy-3-N-(2-methoxyphenyl)benzene-1,3-diamine.
What is the SMILES notation for 5-methoxy-3-N-(2-methoxyphenyl)benzene-1,3-diamine?
The canonical SMILES for 5-methoxy-3-N-(2-methoxyphenyl)benzene-1,3-diamine is COc1cc(N)cc(Nc2ccccc2OC)c1.
What is the InChIKey of 5-methoxy-3-N-(2-methoxyphenyl)benzene-1,3-diamine?
The InChIKey is QAMTYFPUZSQGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-17-12-8-10(15)7-11(9-12)16-13-5-3-4-6-14(13)18-2/h3-9,16H,15H2,1-2H3.
What are the key properties of 5-methoxy-3-N-(2-methoxyphenyl)benzene-1,3-diamine?
5-methoxy-3-N-(2-methoxyphenyl)benzene-1,3-diamine has a molecular weight of 244.29 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-N-(2-methoxyphenyl)benzene-1,3-diamine is sourced from PubChem (CID 80722898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).