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

C15H17BrClNS — CID 107945448

IUPACN-[1-(3-bromo-5-chlorophenyl)-2-thiophen-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccs1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H17BrClNS/c1-2-5-18-15(10-14-4-3-6-19-14)11-7-12(16)9-13(17)8-11/h3-4,6-9,15,18H,2,5,10H2,1H3
InChIKeyHQPJQTZRXLRDHU-UHFFFAOYSA-N
MW358.73 g/mol
LogP5.45
Rot. Bonds6

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

N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-2-ylethyl]propan-1-amine (PubChem CID 107945448) 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-2-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-5-chlorophenyl)-2-thiophen-2-ylethyl]propan-1-amine
PubChem CID107945448
Molecular FormulaC15H17BrClNS
Molecular Weight358.73 g/mol
Exact Mass357.00
IUPAC NameN-[1-(3-bromo-5-chlorophenyl)-2-thiophen-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccs1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H17BrClNS/c1-2-5-18-15(10-14-4-3-6-19-14)11-7-12(16)9-13(17)8-11/h3-4,6-9,15,18H,2,5,10H2,1H3
InChIKeyHQPJQTZRXLRDHU-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

N-[1-(5-bromo-2-chlorophenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63527737
N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 107945517
N-[1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 107946178
1-(3-bromo-5-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 113460855
N-[1-(2,4-dibromophenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 107945447
N-[1-(4-chloro-2,5-difluorophenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 82771763
N-[1-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylethyl]propan-1-amine
CID 61065695
1-(3-bromophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63774616
1-(3-bromo-5-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 107945833
N-[1-(3,5-dichlorophenyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 115842683
N-[1-(3-bromo-5-chlorophenyl)-2-ethoxyethyl]propan-1-amine
CID 114019324
N-[1-(2-bromofuran-3-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 106854675

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-2-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-2-ylethyl]propan-1-amine (CID 107945448) is N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-2-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-2-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-2-ylethyl]propan-1-amine is CCCNC(Cc1cccs1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-2-ylethyl]propan-1-amine?
The InChIKey is HQPJQTZRXLRDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClNS/c1-2-5-18-15(10-14-4-3-6-19-14)11-7-12(16)9-13(17)8-11/h3-4,6-9,15,18H,2,5,10H2,1H3.
What are the key properties of N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-2-ylethyl]propan-1-amine?
N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-2-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-2-ylethyl]propan-1-amine is sourced from PubChem (CID 107945448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).