2-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol

C15H23NO2 — CID 64810805

IUPAC2-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol
SMILESCNC(CO)CCOc1ccc2c(c1)CCCC2
InChIInChI=1S/C15H23NO2/c1-16-14(11-17)8-9-18-15-7-6-12-4-2-3-5-13(12)10-15/h6-7,10,14,16-17H,2-5,8-9,11H2,1H3
InChIKeyHTAXGFQETYXWGK-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.91
Rot. Bonds6

About 2-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol

2-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol (PubChem CID 64810805) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol.

Molecular Properties

Compound Name2-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol
PubChem CID64810805
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol
SMILESCNC(CO)CCOc1ccc2c(c1)CCCC2
InChIInChI=1S/C15H23NO2/c1-16-14(11-17)8-9-18-15-7-6-12-4-2-3-5-13(12)10-15/h6-7,10,14,16-17H,2-5,8-9,11H2,1H3
InChIKeyHTAXGFQETYXWGK-UHFFFAOYSA-N
XLogP1.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpentan-2-amine
CID 62043866
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
4-(2,3-dihydro-1H-inden-5-yloxy)-N,2-dimethylbutan-2-amine
CID 94686046
2-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoic acid
CID 112511653
2-(methylamino)-4-quinolin-7-yloxybutan-1-ol
CID 107315572
2-ethoxy-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoic acid
CID 63075394
2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-methylbutanoic acid
CID 112509249
2-(cyclopropylamino)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-1-ol
CID 64803434
5-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]hexan-2-amine
CID 63517229
methyl 2-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yloxy)butanoate
CID 63039299
N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 55075397
1-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentan-2-ol
CID 62042802

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol?
The IUPAC name of 2-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol (CID 64810805) is 2-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol.
What is the SMILES notation for 2-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol?
The canonical SMILES for 2-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol is CNC(CO)CCOc1ccc2c(c1)CCCC2.
What is the InChIKey of 2-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol?
The InChIKey is HTAXGFQETYXWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-16-14(11-17)8-9-18-15-7-6-12-4-2-3-5-13(12)10-15/h6-7,10,14,16-17H,2-5,8-9,11H2,1H3.
What are the key properties of 2-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol?
2-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol is sourced from PubChem (CID 64810805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).