(5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine

C15H15BrClNS — CID 80530919

IUPAC(5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
SMILESNC(c1cc(Cl)c(Br)s1)C1CCCc2ccccc21
InChIInChI=1S/C15H15BrClNS/c16-15-12(17)8-13(19-15)14(18)11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,8,11,14H,3,5,7,18H2
InChIKeyFJGPCTSXJCDZDP-UHFFFAOYSA-N
MW356.72 g/mol
LogP5.28
Rot. Bonds2

About (5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine

(5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine (PubChem CID 80530919) has the molecular formula C15H15BrClNS and a molecular weight of 356.72 g/mol. Its IUPAC name is (5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
PubChem CID80530919
Molecular FormulaC15H15BrClNS
Molecular Weight356.72 g/mol
Exact Mass354.98
IUPAC Name(5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
SMILESNC(c1cc(Cl)c(Br)s1)C1CCCc2ccccc21
InChIInChI=1S/C15H15BrClNS/c16-15-12(17)8-13(19-15)14(18)11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,8,11,14H,3,5,7,18H2
InChIKeyFJGPCTSXJCDZDP-UHFFFAOYSA-N
XLogP5.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.72
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 80533090
2-bromo-5-[chloro(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3-methylthiophene
CID 79991901
5-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(chloro)methyl]-2-bromo-3-chlorothiophene
CID 80533677
(2-chloro-4,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 107476058
(4-bromo-3-chloro-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 106762496
2-(5-bromothiophen-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 63250788
(5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 80531579
(5-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol
CID 62720041
2-(2,6-dichlorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 63418546
(3-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 63247325
1-(5-bromothiophen-2-yl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 63503087
2-(5-chlorothiophen-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 55175088

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine (CID 80530919) is (5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine.
What is the SMILES notation for (5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The canonical SMILES for (5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine is NC(c1cc(Cl)c(Br)s1)C1CCCc2ccccc21.
What is the InChIKey of (5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The InChIKey is FJGPCTSXJCDZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNS/c16-15-12(17)8-13(19-15)14(18)11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,8,11,14H,3,5,7,18H2.
What are the key properties of (5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
(5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine has a molecular weight of 356.72 g/mol, XLogP of 5.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine is sourced from PubChem (CID 80530919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).