N-[2-(4-bromo-2-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine

C15H16BrCl2NS — CID 105037954

IUPACN-[2-(4-bromo-2-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cc1Cl)c1sccc1Cl
InChIInChI=1S/C15H16BrCl2NS/c1-2-6-19-14(15-12(17)5-7-20-15)8-10-3-4-11(16)9-13(10)18/h3-5,7,9,14,19H,2,6,8H2,1H3
InChIKeyQLCTXRYGHCZIQF-UHFFFAOYSA-N
MW393.18 g/mol
LogP6.10
Rot. Bonds6

About N-[2-(4-bromo-2-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine

N-[2-(4-bromo-2-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine (PubChem CID 105037954) has the molecular formula C15H16BrCl2NS and a molecular weight of 393.18 g/mol. Its IUPAC name is N-[2-(4-bromo-2-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-bromo-2-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine
PubChem CID105037954
Molecular FormulaC15H16BrCl2NS
Molecular Weight393.18 g/mol
Exact Mass390.96
IUPAC NameN-[2-(4-bromo-2-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cc1Cl)c1sccc1Cl
InChIInChI=1S/C15H16BrCl2NS/c1-2-6-19-14(15-12(17)5-7-20-15)8-10-3-4-11(16)9-13(10)18/h3-5,7,9,14,19H,2,6,8H2,1H3
InChIKeyQLCTXRYGHCZIQF-UHFFFAOYSA-N
XLogP6.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.18
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromo-2-chlorophenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105181752
N-[1-(3-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)ethyl]propan-1-amine
CID 80529432
2-(4-bromo-2-chlorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
CID 105037791
N-[1-(3-bromothiophen-2-yl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 63798111
N-[1-(3-chlorothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 80645193
1-(4-bromo-2-chlorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 113471252
N-[2-(3-bromo-2,6-difluorophenyl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 106274329
N-[2-(4-bromo-2-chlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105181736
N-[1-(3-bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine
CID 103052896
N-[1-(3-chlorothiophen-2-yl)-2-(2-nitrophenyl)ethyl]propan-1-amine
CID 80644819
N-[1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 80529320
N-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine
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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-bromo-2-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine (CID 105037954) is N-[2-(4-bromo-2-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-bromo-2-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-bromo-2-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Br)cc1Cl)c1sccc1Cl.
What is the InChIKey of N-[2-(4-bromo-2-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is QLCTXRYGHCZIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrCl2NS/c1-2-6-19-14(15-12(17)5-7-20-15)8-10-3-4-11(16)9-13(10)18/h3-5,7,9,14,19H,2,6,8H2,1H3.
What are the key properties of N-[2-(4-bromo-2-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine?
N-[2-(4-bromo-2-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 393.18 g/mol, XLogP of 6.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105037954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).