2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol

C16H25NO — CID 43207232

IUPAC2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol
SMILESCCC(CO)NC(C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H25NO/c1-3-16(11-18)17-12(2)14-9-8-13-6-4-5-7-15(13)10-14/h8-10,12,16-18H,3-7,11H2,1-2H3
InChIKeyUDJUQIQDNSZPQM-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.99
Rot. Bonds5

About 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol

2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol (PubChem CID 43207232) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol
PubChem CID43207232
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol
SMILESCCC(CO)NC(C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H25NO/c1-3-16(11-18)17-12(2)14-9-8-13-6-4-5-7-15(13)10-14/h8-10,12,16-18H,3-7,11H2,1-2H3
InChIKeyUDJUQIQDNSZPQM-UHFFFAOYSA-N
XLogP2.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propane-1,3-diol
CID 50973028
4-methyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]pentan-1-ol
CID 61246406
3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol
CID 81338020
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentan-2-amine
CID 43108616
3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]butan-1-ol
CID 81339451
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid
CID 54959578
(2R)-2-[1-(3,4-dimethylphenyl)ethylamino]butan-1-ol
CID 103922500
(2R)-2-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]butan-1-ol
CID 103922417
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethanol
CID 43151079
2-[1-(3,4-dimethoxyphenyl)ethylamino]butan-1-ol
CID 43207184
2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid
CID 54959527
(2R)-2-[[(1S)-1-(3-bromophenyl)ethyl]amino]butan-1-ol
CID 28723457

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol?
The IUPAC name of 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol (CID 43207232) is 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol.
What is the SMILES notation for 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol?
The canonical SMILES for 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol is CCC(CO)NC(C)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol?
The InChIKey is UDJUQIQDNSZPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-16(11-18)17-12(2)14-9-8-13-6-4-5-7-15(13)10-14/h8-10,12,16-18H,3-7,11H2,1-2H3.
What are the key properties of 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol?
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 43207232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).