N-[(5-bromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine

C17H20BrNS — CID 107126528

IUPACN-[(5-bromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)s1)C1CCc2ccccc2C1
InChIInChI=1S/C17H20BrNS/c1-2-19-17(15-9-10-16(18)20-15)14-8-7-12-5-3-4-6-13(12)11-14/h3-6,9-10,14,17,19H,2,7-8,11H2,1H3
InChIKeyBLHDTOYDNPILDV-UHFFFAOYSA-N
MW350.33 g/mol
LogP4.97
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine

N-[(5-bromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine (PubChem CID 107126528) has the molecular formula C17H20BrNS and a molecular weight of 350.33 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
PubChem CID107126528
Molecular FormulaC17H20BrNS
Molecular Weight350.33 g/mol
Exact Mass349.05
IUPAC NameN-[(5-bromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)s1)C1CCc2ccccc2C1
InChIInChI=1S/C17H20BrNS/c1-2-19-17(15-9-10-16(18)20-15)14-8-7-12-5-3-4-6-13(12)11-14/h3-6,9-10,14,17,19H,2,7-8,11H2,1H3
InChIKeyBLHDTOYDNPILDV-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromofuran-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 107126566
N-[cyclopenten-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 107126541
N-[(5-bromothiophen-2-yl)-(4-butylcyclohexyl)methyl]ethanamine
CID 63501873
N-[(5-bromothiophen-2-yl)-(1,1-dioxothiolan-3-yl)methyl]ethanamine
CID 64905985
N-[(2,5-dimethylfuran-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 107126538
N-[(2-ethylpyrazol-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 65404205
N-[(5-bromothiophen-2-yl)-cyclopentylmethyl]propan-1-amine
CID 61104757
N-[(5-bromothiophen-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine
CID 81331178
2-cyclobutyl-N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65458172
N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)but-3-en-1-amine
CID 65405177
N-[2,3-dihydro-1H-inden-2-yl-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 106892715
N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pent-4-yn-1-amine
CID 65404592

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine (CID 107126528) is N-[(5-bromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine is CCNC(c1ccc(Br)s1)C1CCc2ccccc2C1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine?
The InChIKey is BLHDTOYDNPILDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNS/c1-2-19-17(15-9-10-16(18)20-15)14-8-7-12-5-3-4-6-13(12)11-14/h3-6,9-10,14,17,19H,2,7-8,11H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine?
N-[(5-bromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine has a molecular weight of 350.33 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine is sourced from PubChem (CID 107126528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).