N-[2-(4-bromophenyl)-1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine

C17H22BrNS — CID 43496902

IUPACN-[2-(4-bromophenyl)-1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cc1)c1cc(C)sc1C
InChIInChI=1S/C17H22BrNS/c1-4-9-19-17(16-10-12(2)20-13(16)3)11-14-5-7-15(18)8-6-14/h5-8,10,17,19H,4,9,11H2,1-3H3
InChIKeySDXONTIQXPLJBK-UHFFFAOYSA-N
MW352.34 g/mol
LogP5.41
Rot. Bonds6

About N-[2-(4-bromophenyl)-1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine

N-[2-(4-bromophenyl)-1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine (PubChem CID 43496902) has the molecular formula C17H22BrNS and a molecular weight of 352.34 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
PubChem CID43496902
Molecular FormulaC17H22BrNS
Molecular Weight352.34 g/mol
Exact Mass351.07
IUPAC NameN-[2-(4-bromophenyl)-1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cc1)c1cc(C)sc1C
InChIInChI=1S/C17H22BrNS/c1-4-9-19-17(16-10-12(2)20-13(16)3)11-14-5-7-15(18)8-6-14/h5-8,10,17,19H,4,9,11H2,1-3H3
InChIKeySDXONTIQXPLJBK-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

N-[1-(5-bromo-2-chlorophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine
CID 63528081
N-[1-(2,5-dimethylthiophen-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 43496874
N-[1-(2-bromophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine
CID 63415176
N-[1-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63526553
N-[(2,4-dibromophenyl)-(2,5-dimethylthiophen-3-yl)methyl]propan-1-amine
CID 107950445
N-[1-(5-bromo-2-fluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63527246
1-(2,5-dimethylthiophen-3-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 43496920
N-[2-(4-chlorophenyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107944998
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 43200455
N-[2-(4-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 105088934
N-[1-(2,5-dibromothiophen-3-yl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 43497902
1,3-bis(4-bromophenyl)-N-propylpropan-2-amine
CID 60818661

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-bromophenyl)-1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine (CID 43496902) is N-[2-(4-bromophenyl)-1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-bromophenyl)-1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-bromophenyl)-1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Br)cc1)c1cc(C)sc1C.
What is the InChIKey of N-[2-(4-bromophenyl)-1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine?
The InChIKey is SDXONTIQXPLJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNS/c1-4-9-19-17(16-10-12(2)20-13(16)3)11-14-5-7-15(18)8-6-14/h5-8,10,17,19H,4,9,11H2,1-3H3.
What are the key properties of N-[2-(4-bromophenyl)-1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine?
N-[2-(4-bromophenyl)-1-(2,5-dimethylthiophen-3-yl)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-[2-(4-bromophenyl)-1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 43496902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).