N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-3-ylethyl]propan-1-amine

C15H17BrClNS — CID 107945517

IUPACN-[1-(3-bromo-5-chlorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H17BrClNS/c1-2-4-18-15(6-11-3-5-19-10-11)12-7-13(16)9-14(17)8-12/h3,5,7-10,15,18H,2,4,6H2,1H3
InChIKeyYERZVKJUYIPCRY-UHFFFAOYSA-N
MW358.73 g/mol
LogP5.45
Rot. Bonds6

About N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-3-ylethyl]propan-1-amine

N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-3-ylethyl]propan-1-amine (PubChem CID 107945517) has the molecular formula C15H17BrClNS and a molecular weight of 358.73 g/mol. Its IUPAC name is N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-5-chlorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
PubChem CID107945517
Molecular FormulaC15H17BrClNS
Molecular Weight358.73 g/mol
Exact Mass357.00
IUPAC NameN-[1-(3-bromo-5-chlorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H17BrClNS/c1-2-4-18-15(6-11-3-5-19-10-11)12-7-13(16)9-14(17)8-12/h3,5,7-10,15,18H,2,4,6H2,1H3
InChIKeyYERZVKJUYIPCRY-UHFFFAOYSA-N
XLogP5.45
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 ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 107945833
N-[1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 107946178
N-[1-(3,5-difluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61079665
N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 107945448
3-[2-(3-bromo-5-chlorophenyl)-2-chloroethyl]thiophene
CID 107957931
N-[1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078742
N-[1-(3-chlorothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 80645193
N-[1-(3-fluoro-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078926
N-[2-(3-bromophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 60820051
N-[1-(3-fluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078925
N-[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 63798477
N-[1-(3-bromo-5-chlorophenyl)-2-ethoxyethyl]propan-1-amine
CID 114019324

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-3-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-3-ylethyl]propan-1-amine (CID 107945517) is N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-3-ylethyl]propan-1-amine is CCCNC(Cc1ccsc1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-3-ylethyl]propan-1-amine?
The InChIKey is YERZVKJUYIPCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClNS/c1-2-4-18-15(6-11-3-5-19-10-11)12-7-13(16)9-14(17)8-12/h3,5,7-10,15,18H,2,4,6H2,1H3.
What are the key properties of N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-3-ylethyl]propan-1-amine?
N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-3-ylethyl]propan-1-amine has a molecular weight of 358.73 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-3-ylethyl]propan-1-amine is sourced from PubChem (CID 107945517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).