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

C15H15Br2NS — CID 80533090

IUPAC(4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
SMILESNC(c1cc(Br)c(Br)s1)C1CCCc2ccccc21
InChIInChI=1S/C15H15Br2NS/c16-12-8-13(19-15(12)17)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
InChIKeyRHNPVLCAWGGASS-UHFFFAOYSA-N
MW401.17 g/mol
LogP5.39
Rot. Bonds2

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

(4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine (PubChem CID 80533090) has the molecular formula C15H15Br2NS and a molecular weight of 401.17 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
PubChem CID80533090
Molecular FormulaC15H15Br2NS
Molecular Weight401.17 g/mol
Exact Mass398.93
IUPAC Name(4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
SMILESNC(c1cc(Br)c(Br)s1)C1CCCc2ccccc21
InChIInChI=1S/C15H15Br2NS/c16-12-8-13(19-15(12)17)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
InChIKeyRHNPVLCAWGGASS-UHFFFAOYSA-N
XLogP5.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.17
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 80530919
2-bromo-5-[chloro(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3-methylthiophene
CID 79991901
(4-bromo-3-chloro-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 106762496
cyclobutyl-(4,5-dibromothiophen-2-yl)methanamine
CID 80533020
(3-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 63247325
1-(4,5-dibromothiophen-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanamine
CID 114983630
2-(5-bromothiophen-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 63250788
2,3-dihydro-1H-inden-1-yl(thiophen-2-yl)methanamine
CID 65403962
(2-chloro-4,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 107476058
1-(5-bromothiophen-2-yl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 63503087
2-chloro-5-[chloro(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3-methylthiophene
CID 102764819
(2-fluoro-4,6-dimethylphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 106881515

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine (CID 80533090) is (4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine is NC(c1cc(Br)c(Br)s1)C1CCCc2ccccc21.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The InChIKey is RHNPVLCAWGGASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NS/c16-12-8-13(19-15(12)17)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 (4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
(4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine has a molecular weight of 401.17 g/mol, XLogP of 5.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine is sourced from PubChem (CID 80533090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).