2-(5-bromothiophen-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine

C16H18BrNS — CID 63250788

IUPAC2-(5-bromothiophen-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
SMILESNC(Cc1ccc(Br)s1)C1CCCc2ccccc21
InChIInChI=1S/C16H18BrNS/c17-16-9-8-12(19-16)10-15(18)14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,8-9,14-15H,3,5,7,10,18H2
InChIKeyAVXSTCSLOBNVEU-UHFFFAOYSA-N
MW336.30 g/mol
LogP4.50
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine

2-(5-bromothiophen-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine (PubChem CID 63250788) has the molecular formula C16H18BrNS and a molecular weight of 336.30 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
PubChem CID63250788
Molecular FormulaC16H18BrNS
Molecular Weight336.30 g/mol
Exact Mass335.03
IUPAC Name2-(5-bromothiophen-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
SMILESNC(Cc1ccc(Br)s1)C1CCCc2ccccc21
InChIInChI=1S/C16H18BrNS/c17-16-9-8-12(19-16)10-15(18)14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,8-9,14-15H,3,5,7,10,18H2
InChIKeyAVXSTCSLOBNVEU-UHFFFAOYSA-N
XLogP4.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chlorothiophen-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 55175088
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromothiophen-2-yl)ethanamine
CID 115841207
2-(2,6-dichlorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 63418546
N-[2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-1-yl)ethyl]propan-1-amine
CID 65403400
1-(5-bromothiophen-2-yl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 63503087
2-(3-methylphenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 63247283
(5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 80530919
(4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 80533090
1-(2,3-dihydro-1H-inden-1-yl)-2-phenylethanamine
CID 65405904
1-(1,2,3,4-tetrahydronaphthalen-1-yl)decan-1-amine
CID 63418547
2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 65410340
2-cyclopentyl-1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 65405512

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine (CID 63250788) is 2-(5-bromothiophen-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine is NC(Cc1ccc(Br)s1)C1CCCc2ccccc21.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The InChIKey is AVXSTCSLOBNVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNS/c17-16-9-8-12(19-16)10-15(18)14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,8-9,14-15H,3,5,7,10,18H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
2-(5-bromothiophen-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine has a molecular weight of 336.30 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine is sourced from PubChem (CID 63250788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).