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

C17H22BrNS — CID 63417463

IUPAC1-(3-bromothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccccc1C)Cc1sccc1Br
InChIInChI=1S/C17H22BrNS/c1-3-9-19-15(12-17-16(18)8-10-20-17)11-14-7-5-4-6-13(14)2/h4-8,10,15,19H,3,9,11-12H2,1-2H3
InChIKeyGAKDXLWHQDWGHV-UHFFFAOYSA-N
MW352.34 g/mol
LogP4.97
Rot. Bonds7

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

1-(3-bromothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-2-amine (PubChem CID 63417463) has the molecular formula C17H22BrNS and a molecular weight of 352.34 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-2-amine
PubChem CID63417463
Molecular FormulaC17H22BrNS
Molecular Weight352.34 g/mol
Exact Mass351.07
IUPAC Name1-(3-bromothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccccc1C)Cc1sccc1Br
InChIInChI=1S/C17H22BrNS/c1-3-9-19-15(12-17-16(18)8-10-20-17)11-14-7-5-4-6-13(14)2/h4-8,10,15,19H,3,9,11-12H2,1-2H3
InChIKeyGAKDXLWHQDWGHV-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromothiophen-2-yl)-3-(2,5-dimethylphenyl)-N-propylpropan-2-amine
CID 115849045
1-(3-bromothiophen-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 55120538
3-(3-bromothiophen-2-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79088293
1-(3-bromothiophen-2-yl)-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 105139513
1-(3-bromothiophen-2-yl)-5-phenyl-N-propylpentan-2-amine
CID 105139445
2-[(3-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66057841
1-(3-bromothiophen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105139578
1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-propylbutan-2-amine
CID 105139656
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
1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine
CID 102928573
1-(3-bromothiophen-2-yl)-4-cyclopentyl-N-propylbutan-2-amine
CID 115848931

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-2-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-2-amine (CID 63417463) is 1-(3-bromothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-2-amine is CCCNC(Cc1ccccc1C)Cc1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-2-amine?
The InChIKey is GAKDXLWHQDWGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNS/c1-3-9-19-15(12-17-16(18)8-10-20-17)11-14-7-5-4-6-13(14)2/h4-8,10,15,19H,3,9,11-12H2,1-2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-2-amine?
1-(3-bromothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-2-amine has a molecular weight of 352.34 g/mol, XLogP of 4.97, 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-(2-methylphenyl)-N-propylpropan-2-amine is sourced from PubChem (CID 63417463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).