N-[2-(3-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethyl]propan-1-amine

C15H16BrCl2NS — CID 115849219

IUPACN-[2-(3-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1sccc1Br)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H16BrCl2NS/c1-2-6-19-14(9-15-12(16)5-7-20-15)11-8-10(17)3-4-13(11)18/h3-5,7-8,14,19H,2,6,9H2,1H3
InChIKeyRXRAWHDPSLRAKA-UHFFFAOYSA-N
MW393.18 g/mol
LogP6.10
Rot. Bonds6

About N-[2-(3-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethyl]propan-1-amine

N-[2-(3-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethyl]propan-1-amine (PubChem CID 115849219) has the molecular formula C15H16BrCl2NS and a molecular weight of 393.18 g/mol. Its IUPAC name is N-[2-(3-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethyl]propan-1-amine
PubChem CID115849219
Molecular FormulaC15H16BrCl2NS
Molecular Weight393.18 g/mol
Exact Mass390.96
IUPAC NameN-[2-(3-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1sccc1Br)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H16BrCl2NS/c1-2-6-19-14(9-15-12(16)5-7-20-15)11-8-10(17)3-4-13(11)18/h3-5,7-8,14,19H,2,6,9H2,1H3
InChIKeyRXRAWHDPSLRAKA-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-(3-bromothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 81277471
N-[2-(3-bromothiophen-2-yl)-1-(3-chloro-5-methylphenyl)ethyl]propan-1-amine
CID 115848866
N-[2-(3-bromothiophen-2-yl)-1-(3,4-difluorophenyl)ethyl]propan-1-amine
CID 63412597
N-[2-(3-bromothiophen-2-yl)-1-(2,4-dimethylphenyl)ethyl]propan-1-amine
CID 115849158
2-(3-bromothiophen-2-yl)-1-(5-chloro-2-methoxyphenyl)-N-ethylethanamine
CID 115849041
N-[2-(3-bromothiophen-2-yl)-1-(2,6-difluoro-3-methylphenyl)ethyl]propan-1-amine
CID 115849084
N-[2-(3-bromothiophen-2-yl)-1-thiophen-2-ylethyl]propan-1-amine
CID 62608324
N-[1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromothiophen-2-yl)ethyl]propan-1-amine
CID 114330808
N-[2-(3-bromothiophen-2-yl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 79522485
N-[2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethyl]propan-1-amine
CID 62602066
N-[2-(3-bromothiophen-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 63414681
N-[1-(3-bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine
CID 103052896

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethyl]propan-1-amine (CID 115849219) is N-[2-(3-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethyl]propan-1-amine is CCCNC(Cc1sccc1Br)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[2-(3-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethyl]propan-1-amine?
The InChIKey is RXRAWHDPSLRAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrCl2NS/c1-2-6-19-14(9-15-12(16)5-7-20-15)11-8-10(17)3-4-13(11)18/h3-5,7-8,14,19H,2,6,9H2,1H3.
What are the key properties of N-[2-(3-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethyl]propan-1-amine?
N-[2-(3-bromothiophen-2-yl)-1-(2,5-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-[2-(3-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 115849219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).