1-(3-bromothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine

C17H22BrNS — CID 105173120

IUPAC1-(3-bromothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1cccc(C)c1)c1sccc1Br
InChIInChI=1S/C17H22BrNS/c1-3-10-19-16(17-15(18)9-11-20-17)8-7-14-6-4-5-13(2)12-14/h4-6,9,11-12,16,19H,3,7-8,10H2,1-2H3
InChIKeyHNUARCCRIFNEAW-UHFFFAOYSA-N
MW352.34 g/mol
LogP5.49
Rot. Bonds7

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

1-(3-bromothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine (PubChem CID 105173120) has the molecular formula C17H22BrNS and a molecular weight of 352.34 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine
PubChem CID105173120
Molecular FormulaC17H22BrNS
Molecular Weight352.34 g/mol
Exact Mass351.07
IUPAC Name1-(3-bromothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1cccc(C)c1)c1sccc1Br
InChIInChI=1S/C17H22BrNS/c1-3-10-19-16(17-15(18)9-11-20-17)8-7-14-6-4-5-13(2)12-14/h4-6,9,11-12,16,19H,3,7-8,10H2,1-2H3
InChIKeyHNUARCCRIFNEAW-UHFFFAOYSA-N
XLogP5.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.34
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromothiophen-2-yl)-N-propyl-3-pyridin-3-ylpropan-1-amine
CID 105173119
1-(3-bromothiophen-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62314813
N-[1-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 63796209
3-(3-methylphenyl)-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine
CID 105162164
N-[1-(3-bromo-5-methylthiophen-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 65278683
1-(5-chlorothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine
CID 105173533
1-(3-bromothiophen-2-yl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039383
1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105023982
1-(3-bromothiophen-2-yl)-2-(3-methylphenyl)ethanamine
CID 63798481
N-[2-(2-bromo-3-fluorophenyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine
CID 105020455
N-[1-(4-bromophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60818106
N-[1-(3-bromothiophen-2-yl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 63798111

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine (CID 105173120) is 1-(3-bromothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine is CCCNC(CCc1cccc(C)c1)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine?
The InChIKey is HNUARCCRIFNEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNS/c1-3-10-19-16(17-15(18)9-11-20-17)8-7-14-6-4-5-13(2)12-14/h4-6,9,11-12,16,19H,3,7-8,10H2,1-2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine?
1-(3-bromothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine has a molecular weight of 352.34 g/mol, XLogP of 5.49, 7 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-methylphenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 105173120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).