3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-ethylpropan-1-amine

C15H17BrClNS — CID 79443317

IUPAC3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-ethylpropan-1-amine
SMILESCCNCC(Cc1sccc1Br)c1cccc(Cl)c1
InChIInChI=1S/C15H17BrClNS/c1-2-18-10-12(9-15-14(16)6-7-19-15)11-4-3-5-13(17)8-11/h3-8,12,18H,2,9-10H2,1H3
InChIKeyILEGZFABAIWNFK-UHFFFAOYSA-N
MW358.73 g/mol
LogP5.10
Rot. Bonds6

About 3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-ethylpropan-1-amine

3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-ethylpropan-1-amine (PubChem CID 79443317) has the molecular formula C15H17BrClNS and a molecular weight of 358.73 g/mol. Its IUPAC name is 3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-ethylpropan-1-amine
PubChem CID79443317
Molecular FormulaC15H17BrClNS
Molecular Weight358.73 g/mol
Exact Mass357.00
IUPAC Name3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-ethylpropan-1-amine
SMILESCCNCC(Cc1sccc1Br)c1cccc(Cl)c1
InChIInChI=1S/C15H17BrClNS/c1-2-18-10-12(9-15-14(16)6-7-19-15)11-4-3-5-13(17)8-11/h3-8,12,18H,2,9-10H2,1H3
InChIKeyILEGZFABAIWNFK-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.73
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-methylpropan-1-amine
CID 79442587
3-bromo-2-[3-bromo-2-(3-chlorophenyl)propyl]thiophene
CID 79432265
3-(3-bromothiophen-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 65431914
2-(3-bromophenyl)-3-(3-chlorophenyl)-N-ethylpropan-1-amine
CID 79443421
N-[3-(3-bromothiophen-2-yl)-2-(4-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 79432398
1-(3-bromothiophen-2-yl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine
CID 63412081
3-(2-bromophenyl)-2-(3-chlorophenyl)-N-propylpropan-1-amine
CID 79433426
3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)propanoic acid
CID 79440338
2-(3-chlorophenyl)-3-(2,4-difluorophenyl)-N-ethylpropan-1-amine
CID 79433435
2-(3-chlorophenyl)-N-ethyl-5,5-dimethylhexan-1-amine
CID 79442795
2-(3-bromophenyl)-3-(4-chloro-2-fluorophenyl)-N-ethylpropan-1-amine
CID 114858847
2-[(3-bromothiophen-2-yl)methyl]-N-ethylpentan-1-amine
CID 62529321

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-ethylpropan-1-amine?
The IUPAC name of 3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-ethylpropan-1-amine (CID 79443317) is 3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-ethylpropan-1-amine.
What is the SMILES notation for 3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-ethylpropan-1-amine?
The canonical SMILES for 3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-ethylpropan-1-amine is CCNCC(Cc1sccc1Br)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-ethylpropan-1-amine?
The InChIKey is ILEGZFABAIWNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClNS/c1-2-18-10-12(9-15-14(16)6-7-19-15)11-4-3-5-13(17)8-11/h3-8,12,18H,2,9-10H2,1H3.
What are the key properties of 3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-ethylpropan-1-amine?
3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-ethylpropan-1-amine has a molecular weight of 358.73 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-ethylpropan-1-amine is sourced from PubChem (CID 79443317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).