2-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine

C14H15BrClNS — CID 79448562

IUPAC2-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(Cl)s1)c1ccccc1Br
InChIInChI=1S/C14H15BrClNS/c1-17-9-10(8-11-6-7-14(16)18-11)12-4-2-3-5-13(12)15/h2-7,10,17H,8-9H2,1H3
InChIKeyDVZUCWYDNIZETA-UHFFFAOYSA-N
MW344.71 g/mol
LogP4.71
Rot. Bonds5

About 2-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine

2-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine (PubChem CID 79448562) has the molecular formula C14H15BrClNS and a molecular weight of 344.71 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine
PubChem CID79448562
Molecular FormulaC14H15BrClNS
Molecular Weight344.71 g/mol
Exact Mass342.98
IUPAC Name2-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(Cl)s1)c1ccccc1Br
InChIInChI=1S/C14H15BrClNS/c1-17-9-10(8-11-6-7-14(16)18-11)12-4-2-3-5-13(12)15/h2-7,10,17H,8-9H2,1H3
InChIKeyDVZUCWYDNIZETA-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.71
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 62608628
2-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-1-amine
CID 106869613
2-(2-bromophenyl)-3-(4-chloro-2-fluorophenyl)-N-methylpropan-1-amine
CID 114858886
3-(2-bromo-4-fluorophenyl)-2-(2-bromophenyl)-N-methylpropan-1-amine
CID 79448852
3-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)-N-methylpropan-1-amine
CID 79441567
2-[(3-bromophenyl)methyl]-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine
CID 63521745
1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine
CID 55187580
1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-2-ol
CID 55118276
2-(2-bromophenyl)-3-(2-fluoro-3-methoxyphenyl)-N-methylpropan-1-amine
CID 104794735
2-(3-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-propan-2-ylpropan-1-amine
CID 79442751
1-(3-bromo-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 107952692
N-[1-(3-bromo-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 115841512

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 2-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine (CID 79448562) is 2-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine is CNCC(Cc1ccc(Cl)s1)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine?
The InChIKey is DVZUCWYDNIZETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNS/c1-17-9-10(8-11-6-7-14(16)18-11)12-4-2-3-5-13(12)15/h2-7,10,17H,8-9H2,1H3.
What are the key properties of 2-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine?
2-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine has a molecular weight of 344.71 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 79448562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).