2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol;hydrochloride

C16H26ClNO — CID 3029491

IUPAC2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol;hydrochloride
SMILESCCC(C)NCC(O)c1ccc2c(c1)CCCC2.Cl
InChIInChI=1S/C16H25NO.ClH/c1-3-12(2)17-11-16(18)15-9-8-13-6-4-5-7-14(13)10-15;/h8-10,12,16-18H,3-7,11H2,1-2H3;1H
InChIKeyKHBXORBAOCQNMC-UHFFFAOYSA-N
MW283.84 g/mol
LogP3.41
Rot. Bonds5

About 2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol;hydrochloride

2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol;hydrochloride (PubChem CID 3029491) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol;hydrochloride
PubChem CID3029491
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol;hydrochloride
SMILESCCC(C)NCC(O)c1ccc2c(c1)CCCC2.Cl
InChIInChI=1S/C16H25NO.ClH/c1-3-12(2)17-11-16(18)15-9-8-13-6-4-5-7-14(13)10-15;/h8-10,12,16-18H,3-7,11H2,1-2H3;1H
InChIKeyKHBXORBAOCQNMC-UHFFFAOYSA-N
XLogP3.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]butanoic acid
CID 82312862
2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol
CID 82312888
N-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 82116189
N-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]methanesulfonamide
CID 82123649
3-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-2-ol
CID 115720493
2-[(2-methylcyclohexyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 82312858
2-(butan-2-ylamino)-1-(4-methoxyphenyl)ethanol
CID 60904151
2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 82118360
5-(5,6,7,8-tetrahydronaphthalen-2-yl)heptane-2,3-diol
CID 83931813
N-[2-(2,3-dihydro-1H-inden-5-yl)-2-hydroxyethyl]-2,2-dimethylpropanamide
CID 82121740
3-sulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 116830936
1-(methylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol
CID 116859383

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol;hydrochloride?
The IUPAC name of 2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol;hydrochloride (CID 3029491) is 2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol;hydrochloride.
What is the SMILES notation for 2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol;hydrochloride?
The canonical SMILES for 2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol;hydrochloride is CCC(C)NCC(O)c1ccc2c(c1)CCCC2.Cl.
What is the InChIKey of 2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol;hydrochloride?
The InChIKey is KHBXORBAOCQNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO.ClH/c1-3-12(2)17-11-16(18)15-9-8-13-6-4-5-7-14(13)10-15;/h8-10,12,16-18H,3-7,11H2,1-2H3;1H.
What are the key properties of 2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol;hydrochloride?
2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol;hydrochloride has a molecular weight of 283.84 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol;hydrochloride is sourced from PubChem (CID 3029491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).