1-(4-bromo-2-chlorophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine

C15H17BrClNS — CID 82773617

IUPAC1-(4-bromo-2-chlorophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
SMILESCc1ccc(C(C)NC(C)c2ccc(Br)cc2Cl)s1
InChIInChI=1S/C15H17BrClNS/c1-9-4-7-15(19-9)11(3)18-10(2)13-6-5-12(16)8-14(13)17/h4-8,10-11,18H,1-3H3
InChIKeyHUHPUGJHCQWSJS-UHFFFAOYSA-N
MW358.73 g/mol
LogP5.88
Rot. Bonds4

About 1-(4-bromo-2-chlorophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine

1-(4-bromo-2-chlorophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine (PubChem CID 82773617) has the molecular formula C15H17BrClNS and a molecular weight of 358.73 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
PubChem CID82773617
Molecular FormulaC15H17BrClNS
Molecular Weight358.73 g/mol
Exact Mass357.00
IUPAC Name1-(4-bromo-2-chlorophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
SMILESCc1ccc(C(C)NC(C)c2ccc(Br)cc2Cl)s1
InChIInChI=1S/C15H17BrClNS/c1-9-4-7-15(19-9)11(3)18-10(2)13-6-5-12(16)8-14(13)17/h4-8,10-11,18H,1-3H3
InChIKeyHUHPUGJHCQWSJS-UHFFFAOYSA-N
XLogP5.88
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 ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine
CID 82774817
2-[bromo-(4-bromo-2-chlorophenyl)methyl]-5-methylthiophene
CID 63435870
(1S)-1-(4-bromophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 81360088
(1R)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylethanamine
CID 82773268
N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 82777077
(1S)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 82773741
1-(4-bromo-2-chlorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 82774634
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylpentan-3-amine
CID 82774823
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dimethylaniline
CID 82774709
N-[1-(2,5-difluorophenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 43674222
1-(4-bromo-2-chlorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
CID 114158485
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline
CID 82773321

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine (CID 82773617) is 1-(4-bromo-2-chlorophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine is Cc1ccc(C(C)NC(C)c2ccc(Br)cc2Cl)s1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine?
The InChIKey is HUHPUGJHCQWSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClNS/c1-9-4-7-15(19-9)11(3)18-10(2)13-6-5-12(16)8-14(13)17/h4-8,10-11,18H,1-3H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine?
1-(4-bromo-2-chlorophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine has a molecular weight of 358.73 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine is sourced from PubChem (CID 82773617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).