7-methoxy-2-(oxolan-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine

C16H23NO3 — CID 79247755

IUPAC7-methoxy-2-(oxolan-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(N)C(OCC1CCOC1)CC2
InChIInChI=1S/C16H23NO3/c1-18-13-4-2-12-3-5-15(16(17)14(12)8-13)20-10-11-6-7-19-9-11/h2,4,8,11,15-16H,3,5-7,9-10,17H2,1H3
InChIKeyNKMCYCAIZAOXHS-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.06
Rot. Bonds4

About 7-methoxy-2-(oxolan-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine

7-methoxy-2-(oxolan-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 79247755) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 7-methoxy-2-(oxolan-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name7-methoxy-2-(oxolan-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID79247755
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name7-methoxy-2-(oxolan-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(N)C(OCC1CCOC1)CC2
InChIInChI=1S/C16H23NO3/c1-18-13-4-2-12-3-5-15(16(17)14(12)8-13)20-10-11-6-7-19-9-11/h2,4,8,11,15-16H,3,5-7,9-10,17H2,1H3
InChIKeyNKMCYCAIZAOXHS-UHFFFAOYSA-N
XLogP2.06
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethoxy)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43211668
(1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66798065
7-methoxy-2-(4-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247909
2-(4-fluorophenoxy)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79235063
(3R,4S)-3-(oxolan-3-ylmethoxy)-3,4-dihydro-2H-chromen-4-amine
CID 167482694
7-methoxy-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248446
7-methoxy-N-[2-(oxolan-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104537990
6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627821
2-(3,3-dimethylbutoxy)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66232008
7-methoxy-2-(2-methylpropylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247767
2-[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
CID 54977200
2-N-ethyl-7-methoxy-2-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 79248139

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(oxolan-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 7-methoxy-2-(oxolan-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 79247755) is 7-methoxy-2-(oxolan-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 7-methoxy-2-(oxolan-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 7-methoxy-2-(oxolan-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)C(N)C(OCC1CCOC1)CC2.
What is the InChIKey of 7-methoxy-2-(oxolan-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is NKMCYCAIZAOXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-18-13-4-2-12-3-5-15(16(17)14(12)8-13)20-10-11-6-7-19-9-11/h2,4,8,11,15-16H,3,5-7,9-10,17H2,1H3.
What are the key properties of 7-methoxy-2-(oxolan-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
7-methoxy-2-(oxolan-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 277.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(oxolan-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 79247755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).