N-[1-(4-bromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethyl]propan-1-amine

C15H16BrCl2NS — CID 107308639

IUPACN-[1-(4-bromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1Cl)c1cc(Br)cs1
InChIInChI=1S/C15H16BrCl2NS/c1-2-6-19-13(14-8-11(16)9-20-14)7-10-4-3-5-12(17)15(10)18/h3-5,8-9,13,19H,2,6-7H2,1H3
InChIKeyHVERWSPVJYKBFO-UHFFFAOYSA-N
MW393.18 g/mol
LogP6.10
Rot. Bonds6

About N-[1-(4-bromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethyl]propan-1-amine

N-[1-(4-bromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethyl]propan-1-amine (PubChem CID 107308639) has the molecular formula C15H16BrCl2NS and a molecular weight of 393.18 g/mol. Its IUPAC name is N-[1-(4-bromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethyl]propan-1-amine
PubChem CID107308639
Molecular FormulaC15H16BrCl2NS
Molecular Weight393.18 g/mol
Exact Mass390.96
IUPAC NameN-[1-(4-bromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1Cl)c1cc(Br)cs1
InChIInChI=1S/C15H16BrCl2NS/c1-2-6-19-13(14-8-11(16)9-20-14)7-10-4-3-5-12(17)15(10)18/h3-5,8-9,13,19H,2,6-7H2,1H3
InChIKeyHVERWSPVJYKBFO-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-[1-(5-bromo-2-pyridinyl)-2-(2,3-dichlorophenyl)ethyl]propan-1-amine
CID 107309029
N-[2-(2,3-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 107308457
N-[2-(2,3-dichlorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 107308428
N-[2-(2-chlorophenyl)-1-(3,5-dibromophenyl)ethyl]propan-1-amine
CID 107973808
N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 80532042
N-[2-(2-chlorophenyl)-1-thiophen-2-ylethyl]propan-1-amine
CID 43495939
1-(2,3-dichlorophenyl)-N-propylbutan-2-amine
CID 107308434
N-[2-(2,3-dichlorophenyl)-1-pyridin-2-ylethyl]propan-1-amine
CID 107308391
N-[1-(4-bromothiophen-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83176142
N-[2-(5-bromo-2-pyridinyl)-1-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 104802222
N-[1-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 63528414
N-[1-(3-bromothiophen-2-yl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 63798111

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-bromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethyl]propan-1-amine (CID 107308639) is N-[1-(4-bromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-bromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-bromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethyl]propan-1-amine is CCCNC(Cc1cccc(Cl)c1Cl)c1cc(Br)cs1.
What is the InChIKey of N-[1-(4-bromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethyl]propan-1-amine?
The InChIKey is HVERWSPVJYKBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrCl2NS/c1-2-6-19-13(14-8-11(16)9-20-14)7-10-4-3-5-12(17)15(10)18/h3-5,8-9,13,19H,2,6-7H2,1H3.
What are the key properties of N-[1-(4-bromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethyl]propan-1-amine?
N-[1-(4-bromothiophen-2-yl)-2-(2,3-dichlorophenyl)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-[1-(4-bromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 107308639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).