2,4,6-trimethoxynaphthalen-1-amine

C13H15NO3 — CID 123693588

IUPAC2,4,6-trimethoxynaphthalen-1-amine
SMILESCOc1ccc2c(N)c(OC)cc(OC)c2c1
InChIInChI=1S/C13H15NO3/c1-15-8-4-5-9-10(6-8)11(16-2)7-12(17-3)13(9)14/h4-7H,14H2,1-3H3
InChIKeyQKRAJQDAOJNPHZ-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.45
Rot. Bonds3

About 2,4,6-trimethoxynaphthalen-1-amine

2,4,6-trimethoxynaphthalen-1-amine (PubChem CID 123693588) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2,4,6-trimethoxynaphthalen-1-amine.

Molecular Properties

Compound Name2,4,6-trimethoxynaphthalen-1-amine
PubChem CID123693588
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2,4,6-trimethoxynaphthalen-1-amine
SMILESCOc1ccc2c(N)c(OC)cc(OC)c2c1
InChIInChI=1S/C13H15NO3/c1-15-8-4-5-9-10(6-8)11(16-2)7-12(17-3)13(9)14/h4-7H,14H2,1-3H3
InChIKeyQKRAJQDAOJNPHZ-UHFFFAOYSA-N
XLogP2.45
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

O-(2,5-dimethoxyphenyl)hydroxylamine
CID 117273124
3,4,6-trimethoxybenzene-1,2-diamine
CID 14975826
2,3,5,6-tetramethoxyaniline
CID 19093015
1,3,7-trimethoxynaphthalene
CID 102088907
4-amino-7-methoxy-1-methyl-2H-isoquinolin-3-one
CID 14494536
1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene
CID 54271001
2,5-dimethoxyaniline;molecular hydrogen
CID 159599481
2,6-dimethoxy-1-methylnaphthalene
CID 68950467
5,7-dimethoxy-1,2-dihydrocyclopenta[a]naphthalen-3-one
CID 15573852
6,8-dimethoxy-4-methylbenzo[h]quinoline
CID 11807182
4-bromo-6-methoxyisoquinolin-1-amine
CID 84707747
2-(2-bromo-4-methoxyphenoxy)-4,5-dimethoxyaniline
CID 104706561

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethoxynaphthalen-1-amine?
The IUPAC name of 2,4,6-trimethoxynaphthalen-1-amine (CID 123693588) is 2,4,6-trimethoxynaphthalen-1-amine.
What is the SMILES notation for 2,4,6-trimethoxynaphthalen-1-amine?
The canonical SMILES for 2,4,6-trimethoxynaphthalen-1-amine is COc1ccc2c(N)c(OC)cc(OC)c2c1.
What is the InChIKey of 2,4,6-trimethoxynaphthalen-1-amine?
The InChIKey is QKRAJQDAOJNPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-15-8-4-5-9-10(6-8)11(16-2)7-12(17-3)13(9)14/h4-7H,14H2,1-3H3.
What are the key properties of 2,4,6-trimethoxynaphthalen-1-amine?
2,4,6-trimethoxynaphthalen-1-amine has a molecular weight of 233.27 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethoxynaphthalen-1-amine is sourced from PubChem (CID 123693588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).