1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)-N-propylpropan-2-amine

C16H19BrClNS — CID 63412914

IUPAC1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(Cl)cc1)Cc1cc(Br)cs1
InChIInChI=1S/C16H19BrClNS/c1-2-7-19-15(10-16-9-13(17)11-20-16)8-12-3-5-14(18)6-4-12/h3-6,9,11,15,19H,2,7-8,10H2,1H3
InChIKeyYAYIWBPOOHYAMA-UHFFFAOYSA-N
MW372.76 g/mol
LogP5.32
Rot. Bonds7

About 1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)-N-propylpropan-2-amine

1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)-N-propylpropan-2-amine (PubChem CID 63412914) has the molecular formula C16H19BrClNS and a molecular weight of 372.76 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)-N-propylpropan-2-amine
PubChem CID63412914
Molecular FormulaC16H19BrClNS
Molecular Weight372.76 g/mol
Exact Mass371.01
IUPAC Name1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(Cl)cc1)Cc1cc(Br)cs1
InChIInChI=1S/C16H19BrClNS/c1-2-7-19-15(10-16-9-13(17)11-20-16)8-12-3-5-14(18)6-4-12/h3-6,9,11,15,19H,2,7-8,10H2,1H3
InChIKeyYAYIWBPOOHYAMA-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.76
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)propan-2-yl]hydrazine
CID 105197753
1-(4-bromothiophen-2-yl)-N-propylbutan-2-amine
CID 62601735
1-(4-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62502526
1-(4-bromothiophen-2-yl)-3-(2,6-difluorophenyl)-N-propylpropan-2-amine
CID 115847659
1,3-bis(4-bromophenyl)-N-propylpropan-2-amine
CID 60818661
N-[2-(4-bromothiophen-2-yl)-1-(5-chloro-2-methylphenyl)ethyl]propan-1-amine
CID 115847603
4-(4-bromothiophen-2-yl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
CID 79093811
1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66144182
N-[2-(4-bromothiophen-2-yl)-1-(2-chlorofuran-3-yl)ethyl]propan-1-amine
CID 106691868
1-(4-bromothiophen-2-yl)-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine
CID 103149952
1-(3-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)-N-propylpropan-2-amine
CID 66161598
1-(4-chlorophenyl)-N-propyldecan-2-amine
CID 63413044

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)-N-propylpropan-2-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)-N-propylpropan-2-amine (CID 63412914) is 1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)-N-propylpropan-2-amine is CCCNC(Cc1ccc(Cl)cc1)Cc1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)-N-propylpropan-2-amine?
The InChIKey is YAYIWBPOOHYAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrClNS/c1-2-7-19-15(10-16-9-13(17)11-20-16)8-12-3-5-14(18)6-4-12/h3-6,9,11,15,19H,2,7-8,10H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)-N-propylpropan-2-amine?
1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)-N-propylpropan-2-amine has a molecular weight of 372.76 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)-N-propylpropan-2-amine is sourced from PubChem (CID 63412914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).