3-[(6,7-dimethoxynaphthalen-1-yl)amino]phenol

C18H17NO3 — CID 71217459

IUPAC3-[(6,7-dimethoxynaphthalen-1-yl)amino]phenol
SMILESCOc1cc2cccc(Nc3cccc(O)c3)c2cc1OC
InChIInChI=1S/C18H17NO3/c1-21-17-9-12-5-3-8-16(15(12)11-18(17)22-2)19-13-6-4-7-14(20)10-13/h3-11,19-20H,1-2H3
InChIKeyCFAIJLLRMZNJNV-UHFFFAOYSA-N
MW295.34 g/mol
LogP4.31
Rot. Bonds4

About 3-[(6,7-dimethoxynaphthalen-1-yl)amino]phenol

3-[(6,7-dimethoxynaphthalen-1-yl)amino]phenol (PubChem CID 71217459) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-[(6,7-dimethoxynaphthalen-1-yl)amino]phenol.

Molecular Properties

Compound Name3-[(6,7-dimethoxynaphthalen-1-yl)amino]phenol
PubChem CID71217459
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name3-[(6,7-dimethoxynaphthalen-1-yl)amino]phenol
SMILESCOc1cc2cccc(Nc3cccc(O)c3)c2cc1OC
InChIInChI=1S/C18H17NO3/c1-21-17-9-12-5-3-8-16(15(12)11-18(17)22-2)19-13-6-4-7-14(20)10-13/h3-11,19-20H,1-2H3
InChIKeyCFAIJLLRMZNJNV-UHFFFAOYSA-N
XLogP4.31
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyanilino)phenol
CID 82537348
3-[(6,7-dimethoxyquinolin-4-yl)amino]phenol;hydrochloride
CID 22646651
1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine
CID 19024304
3-(4-methoxyanilino)phenol
CID 15574559
3-(2-fluoro-4-methoxyanilino)phenol
CID 82537335
4-(3-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328853
3-(2,6-dimethylanilino)phenol
CID 53407688
N-(3-chloro-2-fluorophenyl)-6-methoxy-7-[(2-methylpropan-2-yl)oxy]naphthalen-1-amine
CID 176809244
3-(2-fluoroanilino)phenol
CID 82537350
phenol;N-phenylnaphthalen-1-amine
CID 159146578
2-methoxy-N-phenylaniline
CID 10910514
6,7-dimethoxy-N-(3-methoxyphenyl)quinolin-4-amine
CID 53264717

Frequently Asked Questions

What is the IUPAC name of 3-[(6,7-dimethoxynaphthalen-1-yl)amino]phenol?
The IUPAC name of 3-[(6,7-dimethoxynaphthalen-1-yl)amino]phenol (CID 71217459) is 3-[(6,7-dimethoxynaphthalen-1-yl)amino]phenol.
What is the SMILES notation for 3-[(6,7-dimethoxynaphthalen-1-yl)amino]phenol?
The canonical SMILES for 3-[(6,7-dimethoxynaphthalen-1-yl)amino]phenol is COc1cc2cccc(Nc3cccc(O)c3)c2cc1OC.
What is the InChIKey of 3-[(6,7-dimethoxynaphthalen-1-yl)amino]phenol?
The InChIKey is CFAIJLLRMZNJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-21-17-9-12-5-3-8-16(15(12)11-18(17)22-2)19-13-6-4-7-14(20)10-13/h3-11,19-20H,1-2H3.
What are the key properties of 3-[(6,7-dimethoxynaphthalen-1-yl)amino]phenol?
3-[(6,7-dimethoxynaphthalen-1-yl)amino]phenol has a molecular weight of 295.34 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6,7-dimethoxynaphthalen-1-yl)amino]phenol is sourced from PubChem (CID 71217459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).