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

C15H16BrCl2NS — CID 80532042

IUPACN-[1-(5-bromo-4-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1Cl)c1cc(Cl)c(Br)s1
InChIInChI=1S/C15H16BrCl2NS/c1-2-7-19-13(14-9-12(18)15(16)20-14)8-10-5-3-4-6-11(10)17/h3-6,9,13,19H,2,7-8H2,1H3
InChIKeyLBEXAEGCLNQLNX-UHFFFAOYSA-N
MW393.18 g/mol
LogP6.10
Rot. Bonds6

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

N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethyl]propan-1-amine (PubChem CID 80532042) has the molecular formula C15H16BrCl2NS and a molecular weight of 393.18 g/mol. Its IUPAC name is N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-4-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethyl]propan-1-amine
PubChem CID80532042
Molecular FormulaC15H16BrCl2NS
Molecular Weight393.18 g/mol
Exact Mass390.96
IUPAC NameN-[1-(5-bromo-4-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1Cl)c1cc(Cl)c(Br)s1
InChIInChI=1S/C15H16BrCl2NS/c1-2-7-19-13(14-9-12(18)15(16)20-14)8-10-5-3-4-6-11(10)17/h3-6,9,13,19H,2,7-8H2,1H3
InChIKeyLBEXAEGCLNQLNX-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-4-chlorothiophen-2-yl)-2-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 80531060
N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 80532155
N-[2-(2-chlorophenyl)-1-thiophen-2-ylethyl]propan-1-amine
CID 43495939
N-[1-(4,5-dibromothiophen-2-yl)-2-(2,5-dichlorophenyl)ethyl]propan-1-amine
CID 115862935
N-[2-(2-chlorophenyl)-1-(3,5-dibromophenyl)ethyl]propan-1-amine
CID 107973808
1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 80531281
N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(2-chloro-4-methylphenyl)ethyl]propan-1-amine
CID 106867945
N-[(5-bromo-4-chlorothiophen-2-yl)-phenylmethyl]propan-1-amine
CID 80532040
N-[1-(3-bromothiophen-2-yl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 63798111
1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 80531238
N-[2-(2-chlorophenyl)-1-(3,5-dimethylphenyl)ethyl]propan-1-amine
CID 63415367
N-[1-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 63528414

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethyl]propan-1-amine (CID 80532042) is N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1Cl)c1cc(Cl)c(Br)s1.
What is the InChIKey of N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethyl]propan-1-amine?
The InChIKey is LBEXAEGCLNQLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrCl2NS/c1-2-7-19-13(14-9-12(18)15(16)20-14)8-10-5-3-4-6-11(10)17/h3-6,9,13,19H,2,7-8H2,1H3.
What are the key properties of N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethyl]propan-1-amine?
N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-(2-chlorophenyl)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-(5-bromo-4-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 80532042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).