1-(3-bromothiophen-2-yl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine

C15H17BrClNS — CID 63412081

IUPAC1-(3-bromothiophen-2-yl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1cccc(Cl)c1)Cc1sccc1Br
InChIInChI=1S/C15H17BrClNS/c1-2-18-13(10-15-14(16)6-7-19-15)9-11-4-3-5-12(17)8-11/h3-8,13,18H,2,9-10H2,1H3
InChIKeyBSIUVGSRJLCNSZ-UHFFFAOYSA-N
MW358.73 g/mol
LogP4.93
Rot. Bonds6

About 1-(3-bromothiophen-2-yl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine

1-(3-bromothiophen-2-yl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine (PubChem CID 63412081) has the molecular formula C15H17BrClNS and a molecular weight of 358.73 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine
PubChem CID63412081
Molecular FormulaC15H17BrClNS
Molecular Weight358.73 g/mol
Exact Mass357.00
IUPAC Name1-(3-bromothiophen-2-yl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1cccc(Cl)c1)Cc1sccc1Br
InChIInChI=1S/C15H17BrClNS/c1-2-18-13(10-15-14(16)6-7-19-15)9-11-4-3-5-12(17)8-11/h3-8,13,18H,2,9-10H2,1H3
InChIKeyBSIUVGSRJLCNSZ-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.73
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)propan-2-amine
CID 113297998
1-(3-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine
CID 55095489
1-(3-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 62602453
1-(3-chlorophenyl)-N-ethyl-3-(3-methylphenyl)propan-2-amine
CID 60819352
1-(3-chlorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 60819525
1-(3-bromophenyl)-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 55095600
1-(3-bromothiophen-2-yl)-N-ethyl-5-phenylpentan-2-amine
CID 105139650
1-(3-bromothiophen-2-yl)-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine
CID 115849139
N-[1-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 63796209
3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-ethylpropan-1-amine
CID 79443317
1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine
CID 63411998
N-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine
CID 63456654

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine (CID 63412081) is 1-(3-bromothiophen-2-yl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine is CCNC(Cc1cccc(Cl)c1)Cc1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine?
The InChIKey is BSIUVGSRJLCNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClNS/c1-2-18-13(10-15-14(16)6-7-19-15)9-11-4-3-5-12(17)8-11/h3-8,13,18H,2,9-10H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine?
1-(3-bromothiophen-2-yl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine has a molecular weight of 358.73 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 63412081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).