3-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)-N-methylpropan-1-amine

C14H15BrClNS — CID 79441567

IUPAC3-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(Br)s1)c1ccc(Cl)cc1
InChIInChI=1S/C14H15BrClNS/c1-17-9-11(8-13-6-7-14(15)18-13)10-2-4-12(16)5-3-10/h2-7,11,17H,8-9H2,1H3
InChIKeyFNIVPUIXRUSHBR-UHFFFAOYSA-N
MW344.71 g/mol
LogP4.71
Rot. Bonds5

About 3-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)-N-methylpropan-1-amine

3-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)-N-methylpropan-1-amine (PubChem CID 79441567) has the molecular formula C14H15BrClNS and a molecular weight of 344.71 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)-N-methylpropan-1-amine
PubChem CID79441567
Molecular FormulaC14H15BrClNS
Molecular Weight344.71 g/mol
Exact Mass342.98
IUPAC Name3-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(Br)s1)c1ccc(Cl)cc1
InChIInChI=1S/C14H15BrClNS/c1-17-9-11(8-13-6-7-14(15)18-13)10-2-4-12(16)5-3-10/h2-7,11,17H,8-9H2,1H3
InChIKeyFNIVPUIXRUSHBR-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

3-(5-bromothiophen-2-yl)-2-(4-methylphenyl)-N-propylpropan-1-amine
CID 79436176
2-(4-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-1-amine
CID 79441550
2-(5-bromothiophen-2-yl)-1-(4-chlorophenyl)ethanamine
CID 62607913
2-bromo-5-[2-(4-bromophenyl)-3-chloropropyl]thiophene
CID 79435351
2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-1-amine
CID 79442168
2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 79441799
2-[3-bromo-2-(4-chlorophenyl)propyl]-5-ethylthiophene
CID 79434857
2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79442386
2-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)-N-methylpropan-1-amine
CID 103049778
2-(4-bromophenyl)-3-(5-bromothiophen-2-yl)propan-1-ol
CID 79437810
2-(4-chlorophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 79441418
2-[2-(5-bromothiophen-2-yl)ethylamino]-1-(4-chlorophenyl)ethanol
CID 106046807

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)-N-methylpropan-1-amine (CID 79441567) is 3-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)-N-methylpropan-1-amine is CNCC(Cc1ccc(Br)s1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)-N-methylpropan-1-amine?
The InChIKey is FNIVPUIXRUSHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNS/c1-17-9-11(8-13-6-7-14(15)18-13)10-2-4-12(16)5-3-10/h2-7,11,17H,8-9H2,1H3.
What are the key properties of 3-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)-N-methylpropan-1-amine?
3-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)-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 3-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 79441567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).