(1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C12H17NO2 — CID 66798065

IUPAC(1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)[C@@H](N)[C@@H](OC)CC2
InChIInChI=1S/C12H17NO2/c1-14-9-5-3-8-4-6-11(15-2)12(13)10(8)7-9/h3,5,7,11-12H,4,6,13H2,1-2H3/t11-,12+/m0/s1
InChIKeyGLKZLMXELQFUOC-NWDGAFQWSA-N
MW207.27 g/mol
LogP1.66
Rot. Bonds2

About (1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine

(1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 66798065) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID66798065
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)[C@@H](N)[C@@H](OC)CC2
InChIInChI=1S/C12H17NO2/c1-14-9-5-3-8-4-6-11(15-2)12(13)10(8)7-9/h3,5,7,11-12H,4,6,13H2,1-2H3/t11-,12+/m0/s1
InChIKeyGLKZLMXELQFUOC-NWDGAFQWSA-N
XLogP1.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenoxy)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79235063
1,2,7-trimethoxy-1,2,3,4-tetrahydronaphthalene
CID 102014911
7-methoxy-2-(4-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247909
6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627821
7-methoxy-2-(oxolan-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247755
2-(cyclopropylmethoxy)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43211668
6-methoxy-N-(2-methoxycyclopentyl)-2,3-dihydro-1H-inden-1-amine
CID 79367052
2-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride
CID 52911309
7-methoxy-2-(3-methylbutan-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107763288
2-cyclohexylsulfanyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247855
6-methoxy-2,3-dihydro-1H-indene-1-thiol
CID 79374496
(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71756873

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 66798065) is (1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)[C@@H](N)[C@@H](OC)CC2.
What is the InChIKey of (1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is GLKZLMXELQFUOC-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H17NO2/c1-14-9-5-3-8-4-6-11(15-2)12(13)10(8)7-9/h3,5,7,11-12H,4,6,13H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of (1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
(1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 207.27 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 66798065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).