N-[1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-bromophenyl)ethyl]propan-1-amine

C15H16Br2ClNS — CID 102828771

IUPACN-[1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-bromophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Br)c1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C15H16Br2ClNS/c1-2-6-19-13(14-9-12(17)15(18)20-14)8-10-4-3-5-11(16)7-10/h3-5,7,9,13,19H,2,6,8H2,1H3
InChIKeyQJQWZMKHNZJEKV-UHFFFAOYSA-N
MW437.63 g/mol
LogP6.21
Rot. Bonds6

About N-[1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-bromophenyl)ethyl]propan-1-amine

N-[1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-bromophenyl)ethyl]propan-1-amine (PubChem CID 102828771) has the molecular formula C15H16Br2ClNS and a molecular weight of 437.63 g/mol. Its IUPAC name is N-[1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-bromophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-bromophenyl)ethyl]propan-1-amine
PubChem CID102828771
Molecular FormulaC15H16Br2ClNS
Molecular Weight437.63 g/mol
Exact Mass434.91
IUPAC NameN-[1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-bromophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Br)c1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C15H16Br2ClNS/c1-2-6-19-13(14-9-12(17)15(18)20-14)8-10-4-3-5-11(16)7-10/h3-5,7,9,13,19H,2,6,8H2,1H3
InChIKeyQJQWZMKHNZJEKV-UHFFFAOYSA-N
XLogP6.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.63
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethyl]propan-1-amine
CID 80534054
N-[1-(4-bromo-5-chlorothiophen-2-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 102828787
N-[2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 63502688
N-[1-(4-bromo-3-chlorophenyl)-2-(3-bromophenyl)ethyl]propan-1-amine
CID 81291663
3-bromo-5-[2-(3-bromophenyl)-1-chloroethyl]-2-chlorothiophene
CID 102836380
1-(4-bromo-5-chlorothiophen-2-yl)-3-methyl-N-propylbutan-1-amine
CID 102828697
N-[1-(4-bromo-5-chlorothiophen-2-yl)-2-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 102828833
N-[2-(3-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine
CID 60817937
1-(4-bromo-5-chlorothiophen-2-yl)-2-(3,4-dimethylphenyl)-N-ethylethanamine
CID 102828563
N-[2-(3-bromophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 60820051
1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-2-phenylethanamine
CID 102828408
N-[2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)ethyl]propan-1-amine
CID 63418360

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-bromophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-bromophenyl)ethyl]propan-1-amine (CID 102828771) is N-[1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-bromophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-bromophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-bromophenyl)ethyl]propan-1-amine is CCCNC(Cc1cccc(Br)c1)c1cc(Br)c(Cl)s1.
What is the InChIKey of N-[1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-bromophenyl)ethyl]propan-1-amine?
The InChIKey is QJQWZMKHNZJEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2ClNS/c1-2-6-19-13(14-9-12(17)15(18)20-14)8-10-4-3-5-11(16)7-10/h3-5,7,9,13,19H,2,6,8H2,1H3.
What are the key properties of N-[1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-bromophenyl)ethyl]propan-1-amine?
N-[1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-bromophenyl)ethyl]propan-1-amine has a molecular weight of 437.63 g/mol, XLogP of 6.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-bromophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 102828771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).