N-[1-(3-bromo-5-methylthiophen-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine

C17H22BrNS — CID 65278683

IUPACN-[1-(3-bromo-5-methylthiophen-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(C)c1)c1sc(C)cc1Br
InChIInChI=1S/C17H22BrNS/c1-4-8-19-16(17-15(18)10-13(3)20-17)11-14-7-5-6-12(2)9-14/h5-7,9-10,16,19H,4,8,11H2,1-3H3
InChIKeyQHNAPSJQQAQEEN-UHFFFAOYSA-N
MW352.34 g/mol
LogP5.41
Rot. Bonds6

About N-[1-(3-bromo-5-methylthiophen-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine

N-[1-(3-bromo-5-methylthiophen-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine (PubChem CID 65278683) has the molecular formula C17H22BrNS and a molecular weight of 352.34 g/mol. Its IUPAC name is N-[1-(3-bromo-5-methylthiophen-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-5-methylthiophen-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
PubChem CID65278683
Molecular FormulaC17H22BrNS
Molecular Weight352.34 g/mol
Exact Mass351.07
IUPAC NameN-[1-(3-bromo-5-methylthiophen-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(C)c1)c1sc(C)cc1Br
InChIInChI=1S/C17H22BrNS/c1-4-8-19-16(17-15(18)10-13(3)20-17)11-14-7-5-6-12(2)9-14/h5-7,9-10,16,19H,4,8,11H2,1-3H3
InChIKeyQHNAPSJQQAQEEN-UHFFFAOYSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.34
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-methylthiophen-2-yl)-N-propylpropan-1-amine
CID 65278886
N-[1-(4-bromophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60818106
N-[1-(3,5-dimethylthiophen-2-yl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 81156314
1-(3-bromothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine
CID 105173120
N-[1-(2,6-difluorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63526394
N-[1-(4-ethylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60819207
1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 81155614
N-[1-(2-fluoro-5-methylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63415224
N-[1-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 63796209
N-[1-(4-methoxyphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60798724
N-[1-(2-methoxyphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60799288
N-[1-(3-methylfuran-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 62387853

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-5-methylthiophen-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-bromo-5-methylthiophen-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine (CID 65278683) is N-[1-(3-bromo-5-methylthiophen-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-bromo-5-methylthiophen-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-bromo-5-methylthiophen-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine is CCCNC(Cc1cccc(C)c1)c1sc(C)cc1Br.
What is the InChIKey of N-[1-(3-bromo-5-methylthiophen-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine?
The InChIKey is QHNAPSJQQAQEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNS/c1-4-8-19-16(17-15(18)10-13(3)20-17)11-14-7-5-6-12(2)9-14/h5-7,9-10,16,19H,4,8,11H2,1-3H3.
What are the key properties of N-[1-(3-bromo-5-methylthiophen-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine?
N-[1-(3-bromo-5-methylthiophen-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine has a molecular weight of 352.34 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-5-methylthiophen-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 65278683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).