1-(4,5-dibromothiophen-2-yl)-2-naphthalen-1-ylethanamine

C16H13Br2NS — CID 80536710

IUPAC1-(4,5-dibromothiophen-2-yl)-2-naphthalen-1-ylethanamine
SMILESNC(Cc1cccc2ccccc12)c1cc(Br)c(Br)s1
InChIInChI=1S/C16H13Br2NS/c17-13-9-15(20-16(13)18)14(19)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9,14H,8,19H2
InChIKeyVLFQTSSSEHHFHL-UHFFFAOYSA-N
MW411.16 g/mol
LogP5.67
Rot. Bonds3

About 1-(4,5-dibromothiophen-2-yl)-2-naphthalen-1-ylethanamine

1-(4,5-dibromothiophen-2-yl)-2-naphthalen-1-ylethanamine (PubChem CID 80536710) has the molecular formula C16H13Br2NS and a molecular weight of 411.16 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-2-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-2-naphthalen-1-ylethanamine
PubChem CID80536710
Molecular FormulaC16H13Br2NS
Molecular Weight411.16 g/mol
Exact Mass408.91
IUPAC Name1-(4,5-dibromothiophen-2-yl)-2-naphthalen-1-ylethanamine
SMILESNC(Cc1cccc2ccccc12)c1cc(Br)c(Br)s1
InChIInChI=1S/C16H13Br2NS/c17-13-9-15(20-16(13)18)14(19)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9,14H,8,19H2
InChIKeyVLFQTSSSEHHFHL-UHFFFAOYSA-N
XLogP5.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.16
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,5-dibromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethanamine
CID 107312305
1-(5-methylthiophen-2-yl)-2-naphthalen-1-ylethanamine
CID 61079214
2-(4-bromo-2-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine
CID 115844464
2-(4-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine
CID 80532924
1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-amine
CID 105139176
2,5-dibromo-3-(1-bromo-2-naphthalen-1-ylethyl)thiophene
CID 107965769
2-amino-2-(4,5-dibromothiophen-2-yl)ethanol
CID 103846013
1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chlorophenyl)ethanamine
CID 102827153
1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanamine
CID 102827158
1-(3,5-dimethylphenyl)-2-naphthalen-1-ylethanamine
CID 63527361
1-benzothiophen-2-yl-(4,5-dibromothiophen-2-yl)methanamine
CID 80532944
1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanamine
CID 80530725

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-2-naphthalen-1-ylethanamine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-2-naphthalen-1-ylethanamine (CID 80536710) is 1-(4,5-dibromothiophen-2-yl)-2-naphthalen-1-ylethanamine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-2-naphthalen-1-ylethanamine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-2-naphthalen-1-ylethanamine is NC(Cc1cccc2ccccc12)c1cc(Br)c(Br)s1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-2-naphthalen-1-ylethanamine?
The InChIKey is VLFQTSSSEHHFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2NS/c17-13-9-15(20-16(13)18)14(19)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9,14H,8,19H2.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-2-naphthalen-1-ylethanamine?
1-(4,5-dibromothiophen-2-yl)-2-naphthalen-1-ylethanamine has a molecular weight of 411.16 g/mol, XLogP of 5.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-2-naphthalen-1-ylethanamine is sourced from PubChem (CID 80536710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).