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

C16H18BrNOS — CID 103917393

IUPAC5-[2-(5-bromothiophen-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc2c(c1)CCCC2NCCc1ccc(Br)s1
InChIInChI=1S/C16H18BrNOS/c17-16-7-5-13(20-16)8-9-18-15-3-1-2-11-10-12(19)4-6-14(11)15/h4-7,10,15,18-19H,1-3,8-9H2
InChIKeyBJTROLZBIAPMOI-UHFFFAOYSA-N
MW352.30 g/mol
LogP4.43
Rot. Bonds4

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

5-[2-(5-bromothiophen-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 103917393) has the molecular formula C16H18BrNOS and a molecular weight of 352.30 g/mol. Its IUPAC name is 5-[2-(5-bromothiophen-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name5-[2-(5-bromothiophen-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID103917393
Molecular FormulaC16H18BrNOS
Molecular Weight352.30 g/mol
Exact Mass351.03
IUPAC Name5-[2-(5-bromothiophen-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc2c(c1)CCCC2NCCc1ccc(Br)s1
InChIInChI=1S/C16H18BrNOS/c17-16-7-5-13(20-16)8-9-18-15-3-1-2-11-10-12(19)4-6-14(11)15/h4-7,10,15,18-19H,1-3,8-9H2
InChIKeyBJTROLZBIAPMOI-UHFFFAOYSA-N
XLogP4.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106042610
5-[(4-hydroxyphenyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114331480
5-[2-[ethyl(methyl)amino]ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 62634516
N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]cyclopropanecarboxamide
CID 115903598
5-[2-[ethyl(propyl)amino]ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 103917623
5-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 62522817
1-[2-(1,3-thiazol-4-yl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682370
2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propane-1,3-diol
CID 65310523
8-[2-(cyclopenten-1-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 106169248
1-[2-(oxolan-2-yl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682224
5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 103965960
5-[(5-hydroxy-2,2-dimethylpentyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 106144036

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-bromothiophen-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 5-[2-(5-bromothiophen-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 103917393) is 5-[2-(5-bromothiophen-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 5-[2-(5-bromothiophen-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 5-[2-(5-bromothiophen-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol is Oc1ccc2c(c1)CCCC2NCCc1ccc(Br)s1.
What is the InChIKey of 5-[2-(5-bromothiophen-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is BJTROLZBIAPMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNOS/c17-16-7-5-13(20-16)8-9-18-15-3-1-2-11-10-12(19)4-6-14(11)15/h4-7,10,15,18-19H,1-3,8-9H2.
What are the key properties of 5-[2-(5-bromothiophen-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
5-[2-(5-bromothiophen-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 352.30 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-bromothiophen-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 103917393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).