1-(5-bromo-2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine

C13H13BrClNS — CID 61077843

IUPAC1-(5-bromo-2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
SMILESCNC(Cc1ccsc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H13BrClNS/c1-16-13(6-9-4-5-17-8-9)11-7-10(14)2-3-12(11)15/h2-5,7-8,13,16H,6H2,1H3
InChIKeyABRVVTPNVWSWSF-UHFFFAOYSA-N
MW330.68 g/mol
LogP4.67
Rot. Bonds4

About 1-(5-bromo-2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine

1-(5-bromo-2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine (PubChem CID 61077843) has the molecular formula C13H13BrClNS and a molecular weight of 330.68 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
PubChem CID61077843
Molecular FormulaC13H13BrClNS
Molecular Weight330.68 g/mol
Exact Mass328.96
IUPAC Name1-(5-bromo-2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
SMILESCNC(Cc1ccsc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H13BrClNS/c1-16-13(6-9-4-5-17-8-9)11-7-10(14)2-3-12(11)15/h2-5,7-8,13,16H,6H2,1H3
InChIKeyABRVVTPNVWSWSF-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.68
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61078376
1-(5-bromo-2-chlorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105412254
1-(5-bromo-2-chlorophenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 63527047
1-(5-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115857164
1-(3,4-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61078368
1-(2,3-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61077656
1-(5-bromo-2-chlorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830664
1-(4-chloro-3-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 114024608
1-(5-bromo-2-chlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 105019983
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 105037649
N-methyl-2-thiophen-3-yl-1-(2,4,5-trimethoxyphenyl)ethanamine
CID 61078910
1-(5-bromo-2-chlorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 43487053

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine (CID 61077843) is 1-(5-bromo-2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine is CNC(Cc1ccsc1)c1cc(Br)ccc1Cl.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine?
The InChIKey is ABRVVTPNVWSWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNS/c1-16-13(6-9-4-5-17-8-9)11-7-10(14)2-3-12(11)15/h2-5,7-8,13,16H,6H2,1H3.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine?
1-(5-bromo-2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine has a molecular weight of 330.68 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine is sourced from PubChem (CID 61077843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).