1,8-dimethoxynaphthalen-2-amine

C12H13NO2 — CID 115022882

IUPAC1,8-dimethoxynaphthalen-2-amine
SMILESCOc1cccc2ccc(N)c(OC)c12
InChIInChI=1S/C12H13NO2/c1-14-10-5-3-4-8-6-7-9(13)12(15-2)11(8)10/h3-7H,13H2,1-2H3
InChIKeyYITOHLGKDRRDCL-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.44
Rot. Bonds2

About 1,8-dimethoxynaphthalen-2-amine

1,8-dimethoxynaphthalen-2-amine (PubChem CID 115022882) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1,8-dimethoxynaphthalen-2-amine.

Molecular Properties

Compound Name1,8-dimethoxynaphthalen-2-amine
PubChem CID115022882
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1,8-dimethoxynaphthalen-2-amine
SMILESCOc1cccc2ccc(N)c(OC)c12
InChIInChI=1S/C12H13NO2/c1-14-10-5-3-4-8-6-7-9(13)12(15-2)11(8)10/h3-7H,13H2,1-2H3
InChIKeyYITOHLGKDRRDCL-UHFFFAOYSA-N
XLogP2.44
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-8-methylnaphthalen-2-amine
CID 115017290
1,2,3,8-tetramethoxynaphthalene
CID 91328449
4-methoxypentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
CID 102346383
2,3,4-trimethoxyaniline
CID 15455622
pyren-1-amine
CID 15352
1-methoxyanthracen-9-amine
CID 23131408
(4-amino-3-fluorophenyl)-(9-methoxy-3H-benzo[e]indol-2-yl)methanone
CID 53374734
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
1,2,4,5-tetramethoxyphenanthrene-3-carboxylic acid
CID 174558814
2,7-dimethoxynaphthalene-1,8-diamine
CID 12868710
5-methoxyisoquinoline-1,4-diamine
CID 84661992
1-methoxy-8-(8-methylnaphthalen-1-yl)naphthalene
CID 123360792

Frequently Asked Questions

What is the IUPAC name of 1,8-dimethoxynaphthalen-2-amine?
The IUPAC name of 1,8-dimethoxynaphthalen-2-amine (CID 115022882) is 1,8-dimethoxynaphthalen-2-amine.
What is the SMILES notation for 1,8-dimethoxynaphthalen-2-amine?
The canonical SMILES for 1,8-dimethoxynaphthalen-2-amine is COc1cccc2ccc(N)c(OC)c12.
What is the InChIKey of 1,8-dimethoxynaphthalen-2-amine?
The InChIKey is YITOHLGKDRRDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-14-10-5-3-4-8-6-7-9(13)12(15-2)11(8)10/h3-7H,13H2,1-2H3.
What are the key properties of 1,8-dimethoxynaphthalen-2-amine?
1,8-dimethoxynaphthalen-2-amine has a molecular weight of 203.24 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethoxynaphthalen-2-amine is sourced from PubChem (CID 115022882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).