2-(4-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine

C15H17BrClNS — CID 43740782

IUPAC2-(4-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine
SMILESCC(NC(C)(C)c1ccc(Br)cc1)c1ccc(Cl)s1
InChIInChI=1S/C15H17BrClNS/c1-10(13-8-9-14(17)19-13)18-15(2,3)11-4-6-12(16)7-5-11/h4-10,18H,1-3H3
InChIKeyUOFOTSHNNXCTMW-UHFFFAOYSA-N
MW358.73 g/mol
LogP5.75
Rot. Bonds4

About 2-(4-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine

2-(4-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine (PubChem CID 43740782) has the molecular formula C15H17BrClNS and a molecular weight of 358.73 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine
PubChem CID43740782
Molecular FormulaC15H17BrClNS
Molecular Weight358.73 g/mol
Exact Mass357.00
IUPAC Name2-(4-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine
SMILESCC(NC(C)(C)c1ccc(Br)cc1)c1ccc(Cl)s1
InChIInChI=1S/C15H17BrClNS/c1-10(13-8-9-14(17)19-13)18-15(2,3)11-4-6-12(16)7-5-11/h4-10,18H,1-3H3
InChIKeyUOFOTSHNNXCTMW-UHFFFAOYSA-N
XLogP5.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.73
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]propan-2-amine
CID 43740758
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,3,3-trimethylbutan-1-amine
CID 83141725
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
4-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-difluoroaniline
CID 65469266
2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methylpentan-1-ol
CID 115920469
2-(4-bromophenyl)-N-[1-(4-methylsulfanylphenyl)ethyl]propan-2-amine
CID 43740769
1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43439067
2-(4-bromophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]propan-2-amine
CID 43740817
N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 61469472
3-[1-[2-(4-bromophenyl)propan-2-ylamino]ethyl]phenol
CID 43740839
N-[1-(5-chlorothiophen-2-yl)ethyl]but-2-yn-1-amine
CID 62309744
2-(1-bromoethyl)-5-chlorothiophene
CID 61096745

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine?
The IUPAC name of 2-(4-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine (CID 43740782) is 2-(4-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for 2-(4-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine?
The canonical SMILES for 2-(4-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine is CC(NC(C)(C)c1ccc(Br)cc1)c1ccc(Cl)s1.
What is the InChIKey of 2-(4-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine?
The InChIKey is UOFOTSHNNXCTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClNS/c1-10(13-8-9-14(17)19-13)18-15(2,3)11-4-6-12(16)7-5-11/h4-10,18H,1-3H3.
What are the key properties of 2-(4-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine?
2-(4-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine has a molecular weight of 358.73 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 43740782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).