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

C17H16N2O — CID 86689993

IUPAC2-N-(3-methoxyphenyl)naphthalene-1,2-diamine
SMILESCOc1cccc(Nc2ccc3ccccc3c2N)c1
InChIInChI=1S/C17H16N2O/c1-20-14-7-4-6-13(11-14)19-16-10-9-12-5-2-3-8-15(12)17(16)18/h2-11,19H,18H2,1H3
InChIKeyXCYSIPKJJJVWKI-UHFFFAOYSA-N
MW264.33 g/mol
LogP4.17
Rot. Bonds3

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

2-N-(3-methoxyphenyl)naphthalene-1,2-diamine (PubChem CID 86689993) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-N-(3-methoxyphenyl)naphthalene-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-methoxyphenyl)naphthalene-1,2-diamine
PubChem CID86689993
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2-N-(3-methoxyphenyl)naphthalene-1,2-diamine
SMILESCOc1cccc(Nc2ccc3ccccc3c2N)c1
InChIInChI=1S/C17H16N2O/c1-20-14-7-4-6-13(11-14)19-16-10-9-12-5-2-3-8-15(12)17(16)18/h2-11,19H,18H2,1H3
InChIKeyXCYSIPKJJJVWKI-UHFFFAOYSA-N
XLogP4.17
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 54.17
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

6-N-(3-methoxyphenyl)isoquinoline-5,6-diamine
CID 106947587
1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
CID 19351985
3-N-(3-methoxyphenyl)-2-methylbenzene-1,3-diamine
CID 63077298
4-N-(3-methoxyphenyl)pyridine-3,4-diamine
CID 29067426
5-methoxy-3-N-(3-methoxyphenyl)benzene-1,3-diamine
CID 80722123
6-N-(3-ethylphenyl)isoquinoline-5,6-diamine
CID 106947586
6-chloro-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80762521
2-[2-(3-methoxyanilino)phenyl]acetic acid
CID 18546395
1-[3-amino-4-(3-methoxyanilino)phenyl]ethanone
CID 82482529
3,4-bis(3-methoxyanilino)cyclobut-3-ene-1,2-dione
CID 2824412
ethyl 5-amino-2-(3-methoxyanilino)benzoate
CID 61306565
N-(2-fluoro-4-methoxyphenyl)naphthalen-2-amine
CID 82536277

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methoxyphenyl)naphthalene-1,2-diamine?
The IUPAC name of 2-N-(3-methoxyphenyl)naphthalene-1,2-diamine (CID 86689993) is 2-N-(3-methoxyphenyl)naphthalene-1,2-diamine.
What is the SMILES notation for 2-N-(3-methoxyphenyl)naphthalene-1,2-diamine?
The canonical SMILES for 2-N-(3-methoxyphenyl)naphthalene-1,2-diamine is COc1cccc(Nc2ccc3ccccc3c2N)c1.
What is the InChIKey of 2-N-(3-methoxyphenyl)naphthalene-1,2-diamine?
The InChIKey is XCYSIPKJJJVWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-20-14-7-4-6-13(11-14)19-16-10-9-12-5-2-3-8-15(12)17(16)18/h2-11,19H,18H2,1H3.
What are the key properties of 2-N-(3-methoxyphenyl)naphthalene-1,2-diamine?
2-N-(3-methoxyphenyl)naphthalene-1,2-diamine has a molecular weight of 264.33 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methoxyphenyl)naphthalene-1,2-diamine is sourced from PubChem (CID 86689993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).