1-amino-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-ol

C15H23NO2 — CID 112508761

IUPAC1-amino-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-ol
SMILESNCCC(O)CCOc1cccc2c1CCCC2
InChIInChI=1S/C15H23NO2/c16-10-8-13(17)9-11-18-15-7-3-5-12-4-1-2-6-14(12)15/h3,5,7,13,17H,1-2,4,6,8-11,16H2
InChIKeyWTKXTWKVRAJRFR-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.04
Rot. Bonds6

About 1-amino-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-ol

1-amino-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-ol (PubChem CID 112508761) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-amino-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-ol.

Molecular Properties

Compound Name1-amino-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-ol
PubChem CID112508761
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-amino-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-ol
SMILESNCCC(O)CCOc1cccc2c1CCCC2
InChIInChI=1S/C15H23NO2/c16-10-8-13(17)9-11-18-15-7-3-5-12-4-1-2-6-14(12)15/h3,5,7,13,17H,1-2,4,6,8-11,16H2
InChIKeyWTKXTWKVRAJRFR-UHFFFAOYSA-N
XLogP2.04
TPSA55.48 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 ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-5-(2,3-dimethylphenoxy)pentan-3-ol
CID 112508032
2-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentanoic acid
CID 112511655
5-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 11310357
5-butoxy-1,2,3,4-tetrahydronaphthalene
CID 57014002
4-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-one
CID 39349304
4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]aniline
CID 82092333
4-[2-(hydroxymethyl)phenyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butan-2-ol
CID 70185548
N-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanehydrazide
CID 116820578
4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethylsulfanyl]aniline
CID 39422790
2-amino-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid
CID 19855453
[6-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-pyridinyl]methanamine
CID 116820253
N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetohydrazide
CID 116820516

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-ol?
The IUPAC name of 1-amino-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-ol (CID 112508761) is 1-amino-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-ol.
What is the SMILES notation for 1-amino-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-ol?
The canonical SMILES for 1-amino-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-ol is NCCC(O)CCOc1cccc2c1CCCC2.
What is the InChIKey of 1-amino-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-ol?
The InChIKey is WTKXTWKVRAJRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c16-10-8-13(17)9-11-18-15-7-3-5-12-4-1-2-6-14(12)15/h3,5,7,13,17H,1-2,4,6,8-11,16H2.
What are the key properties of 1-amino-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-ol?
1-amino-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-ol has a molecular weight of 249.35 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-ol is sourced from PubChem (CID 112508761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).