1-(2-amino-7-methylnaphthalen-1-yl)naphthalen-2-ol

C21H17NO — CID 162122233

IUPAC1-(2-amino-7-methylnaphthalen-1-yl)naphthalen-2-ol
SMILESCc1ccc2ccc(N)c(-c3c(O)ccc4ccccc34)c2c1
InChIInChI=1S/C21H17NO/c1-13-6-7-15-8-10-18(22)20(17(15)12-13)21-16-5-3-2-4-14(16)9-11-19(21)23/h2-12,23H,22H2,1H3
InChIKeyZHOJWGAMBCXDPM-UHFFFAOYSA-N
MW299.37 g/mol
LogP5.26
Rot. Bonds1

About 1-(2-amino-7-methylnaphthalen-1-yl)naphthalen-2-ol

1-(2-amino-7-methylnaphthalen-1-yl)naphthalen-2-ol (PubChem CID 162122233) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-(2-amino-7-methylnaphthalen-1-yl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(2-amino-7-methylnaphthalen-1-yl)naphthalen-2-ol
PubChem CID162122233
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name1-(2-amino-7-methylnaphthalen-1-yl)naphthalen-2-ol
SMILESCc1ccc2ccc(N)c(-c3c(O)ccc4ccccc34)c2c1
InChIInChI=1S/C21H17NO/c1-13-6-7-15-8-10-18(22)20(17(15)12-13)21-16-5-3-2-4-14(16)9-11-19(21)23/h2-12,23H,22H2,1H3
InChIKeyZHOJWGAMBCXDPM-UHFFFAOYSA-N
XLogP5.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.37
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminonaphthalen-1-yl)-7-methylnaphthalen-2-amine
CID 11266515
1-(2-methylnaphthalen-1-yl)naphthalen-2-amine
CID 18736750
1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;hydrochloride
CID 139641730
1-(3-methylphenyl)naphthalen-2-amine
CID 141043466
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid
CID 173338729
1-(6-hydroxy-2,3,4-trimethylphenyl)-7-methylnaphthalen-2-ol
CID 147166844
5-methyl-2-(2-methylnaphthalen-1-yl)aniline
CID 82767076
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium
CID 134903058
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;N-methyl-N-phosphanylmethanamine
CID 142347259
2-[(2-aminonaphthalen-1-yl)diazenyl]-5-methylphenol
CID 154145650
1-(2-hydroxy-4-methyl-6-propan-2-ylphenyl)naphthalen-2-ol
CID 58219550

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-7-methylnaphthalen-1-yl)naphthalen-2-ol?
The IUPAC name of 1-(2-amino-7-methylnaphthalen-1-yl)naphthalen-2-ol (CID 162122233) is 1-(2-amino-7-methylnaphthalen-1-yl)naphthalen-2-ol.
What is the SMILES notation for 1-(2-amino-7-methylnaphthalen-1-yl)naphthalen-2-ol?
The canonical SMILES for 1-(2-amino-7-methylnaphthalen-1-yl)naphthalen-2-ol is Cc1ccc2ccc(N)c(-c3c(O)ccc4ccccc34)c2c1.
What is the InChIKey of 1-(2-amino-7-methylnaphthalen-1-yl)naphthalen-2-ol?
The InChIKey is ZHOJWGAMBCXDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO/c1-13-6-7-15-8-10-18(22)20(17(15)12-13)21-16-5-3-2-4-14(16)9-11-19(21)23/h2-12,23H,22H2,1H3.
What are the key properties of 1-(2-amino-7-methylnaphthalen-1-yl)naphthalen-2-ol?
1-(2-amino-7-methylnaphthalen-1-yl)naphthalen-2-ol has a molecular weight of 299.37 g/mol, XLogP of 5.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-7-methylnaphthalen-1-yl)naphthalen-2-ol is sourced from PubChem (CID 162122233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).