[6-(2-amino-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dimethoxyphenyl]methanol;ethane

C25H39NO5 — CID 155598214

IUPAC[6-(2-amino-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dimethoxyphenyl]methanol;ethane
SMILESCC.CC.COc1cc2c(cc1OC)C(c1ccc(OC)c(OC)c1CO)C(N)CC2
InChIInChI=1S/C21H27NO5.2C2H6/c1-24-17-8-6-13(15(11-23)21(17)27-4)20-14-10-19(26-3)18(25-2)9-12(14)5-7-16(20)22;2*1-2/h6,8-10,16,20,23H,5,7,11,22H2,1-4H3;2*1-2H3
InChIKeyOJTGDELIXZUYMN-UHFFFAOYSA-N
MW433.59 g/mol
LogP4.67
Rot. Bonds6

About [6-(2-amino-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dimethoxyphenyl]methanol;ethane

[6-(2-amino-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dimethoxyphenyl]methanol;ethane (PubChem CID 155598214) has the molecular formula C25H39NO5 and a molecular weight of 433.59 g/mol. Its IUPAC name is [6-(2-amino-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dimethoxyphenyl]methanol;ethane.

Molecular Properties

Compound Name[6-(2-amino-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dimethoxyphenyl]methanol;ethane
PubChem CID155598214
Molecular FormulaC25H39NO5
Molecular Weight433.59 g/mol
Exact Mass433.28
IUPAC Name[6-(2-amino-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dimethoxyphenyl]methanol;ethane
SMILESCC.CC.COc1cc2c(cc1OC)C(c1ccc(OC)c(OC)c1CO)C(N)CC2
InChIInChI=1S/C21H27NO5.2C2H6/c1-24-17-8-6-13(15(11-23)21(17)27-4)20-14-10-19(26-3)18(25-2)9-12(14)5-7-16(20)22;2*1-2/h6,8-10,16,20,23H,5,7,11,22H2,1-4H3;2*1-2H3
InChIKeyOJTGDELIXZUYMN-UHFFFAOYSA-N
XLogP4.67
TPSA83.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.59
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 39098425
[6-[[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-2-methoxy-3-phenylmethoxyphenyl]methanol
CID 156705593
[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]hydrazine
CID 124633928
2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 84639455
[3-[(1R,2S)-6,7-dimethoxy-2-nitro-1,2,3,4-tetrahydronaphthalen-1-yl]-5-methyl-4-pyridinyl]methanol
CID 67714445
2,5-bis[(3,4-dimethoxyphenyl)methyl]cyclopentan-1-amine;hydrochloride
CID 90679135
1-chloro-5,6-dimethoxy-2,3-dihydro-1H-indene
CID 82024117
(1R)-4-ethyl-5-methoxy-2,3-dihydro-1H-inden-1-amine
CID 130765822
(1R)-1-amino-6-methoxy-2,3-dihydro-1H-inden-5-ol
CID 130688462
6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-amine
CID 82277958
(1R,2R)-2-fluoro-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 102581566
(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium;hydroiodide
CID 165428981

Frequently Asked Questions

What is the IUPAC name of [6-(2-amino-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dimethoxyphenyl]methanol;ethane?
The IUPAC name of [6-(2-amino-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dimethoxyphenyl]methanol;ethane (CID 155598214) is [6-(2-amino-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dimethoxyphenyl]methanol;ethane.
What is the SMILES notation for [6-(2-amino-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dimethoxyphenyl]methanol;ethane?
The canonical SMILES for [6-(2-amino-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dimethoxyphenyl]methanol;ethane is CC.CC.COc1cc2c(cc1OC)C(c1ccc(OC)c(OC)c1CO)C(N)CC2.
What is the InChIKey of [6-(2-amino-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dimethoxyphenyl]methanol;ethane?
The InChIKey is OJTGDELIXZUYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO5.2C2H6/c1-24-17-8-6-13(15(11-23)21(17)27-4)20-14-10-19(26-3)18(25-2)9-12(14)5-7-16(20)22;2*1-2/h6,8-10,16,20,23H,5,7,11,22H2,1-4H3;2*1-2H3.
What are the key properties of [6-(2-amino-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dimethoxyphenyl]methanol;ethane?
[6-(2-amino-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dimethoxyphenyl]methanol;ethane has a molecular weight of 433.59 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-amino-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dimethoxyphenyl]methanol;ethane is sourced from PubChem (CID 155598214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).