3-N-(3-methoxyphenyl)-2-methylbenzene-1,3-diamine

C14H16N2O — CID 63077298

IUPAC3-N-(3-methoxyphenyl)-2-methylbenzene-1,3-diamine
SMILESCOc1cccc(Nc2cccc(N)c2C)c1
InChIInChI=1S/C14H16N2O/c1-10-13(15)7-4-8-14(10)16-11-5-3-6-12(9-11)17-2/h3-9,16H,15H2,1-2H3
InChIKeyPMBDIBYZXCCZFA-UHFFFAOYSA-N
MW228.30 g/mol
LogP3.33
Rot. Bonds3

About 3-N-(3-methoxyphenyl)-2-methylbenzene-1,3-diamine

3-N-(3-methoxyphenyl)-2-methylbenzene-1,3-diamine (PubChem CID 63077298) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-N-(3-methoxyphenyl)-2-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(3-methoxyphenyl)-2-methylbenzene-1,3-diamine
PubChem CID63077298
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name3-N-(3-methoxyphenyl)-2-methylbenzene-1,3-diamine
SMILESCOc1cccc(Nc2cccc(N)c2C)c1
InChIInChI=1S/C14H16N2O/c1-10-13(15)7-4-8-14(10)16-11-5-3-6-12(9-11)17-2/h3-9,16H,15H2,1-2H3
InChIKeyPMBDIBYZXCCZFA-UHFFFAOYSA-N
XLogP3.33
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 53.33
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

1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
CID 19351985
2-chloro-3-N-(3-methoxyphenyl)-5-methylbenzene-1,3-diamine
CID 154647617
3-N-(3-butan-2-yloxyphenyl)-2-methylbenzene-1,3-diamine
CID 63062068
3-N-(3-fluorophenyl)-2-methylbenzene-1,3-diamine
CID 63077124
4-N-(3-methoxyphenyl)pyridine-3,4-diamine
CID 29067426
2-N-(3-methoxyphenyl)naphthalene-1,2-diamine
CID 86689993
3-N-(3,4-dichlorophenyl)-2-methylbenzene-1,3-diamine
CID 55147179
3-N-[2-(3-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 107844867
5-methoxy-3-N-(3-methoxyphenyl)benzene-1,3-diamine
CID 80722123
1-[3-amino-4-(3-methoxyanilino)phenyl]ethanone
CID 82482529
4-amino-3-(3-methoxyanilino)-N-methylbenzenesulfonamide
CID 82899659
6-N-(3-methoxyphenyl)isoquinoline-5,6-diamine
CID 106947587

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-methoxyphenyl)-2-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-(3-methoxyphenyl)-2-methylbenzene-1,3-diamine (CID 63077298) is 3-N-(3-methoxyphenyl)-2-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(3-methoxyphenyl)-2-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(3-methoxyphenyl)-2-methylbenzene-1,3-diamine is COc1cccc(Nc2cccc(N)c2C)c1.
What is the InChIKey of 3-N-(3-methoxyphenyl)-2-methylbenzene-1,3-diamine?
The InChIKey is PMBDIBYZXCCZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-13(15)7-4-8-14(10)16-11-5-3-6-12(9-11)17-2/h3-9,16H,15H2,1-2H3.
What are the key properties of 3-N-(3-methoxyphenyl)-2-methylbenzene-1,3-diamine?
3-N-(3-methoxyphenyl)-2-methylbenzene-1,3-diamine has a molecular weight of 228.30 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-methoxyphenyl)-2-methylbenzene-1,3-diamine is sourced from PubChem (CID 63077298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).