N-[1-(2,4-dibromophenyl)-2-thiophen-2-ylethyl]propan-1-amine

C15H17Br2NS — CID 107945447

IUPACN-[1-(2,4-dibromophenyl)-2-thiophen-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccs1)c1ccc(Br)cc1Br
InChIInChI=1S/C15H17Br2NS/c1-2-7-18-15(10-12-4-3-8-19-12)13-6-5-11(16)9-14(13)17/h3-6,8-9,15,18H,2,7,10H2,1H3
InChIKeyCRRUQUZMVXQTMV-UHFFFAOYSA-N
MW403.18 g/mol
LogP5.56
Rot. Bonds6

About N-[1-(2,4-dibromophenyl)-2-thiophen-2-ylethyl]propan-1-amine

N-[1-(2,4-dibromophenyl)-2-thiophen-2-ylethyl]propan-1-amine (PubChem CID 107945447) has the molecular formula C15H17Br2NS and a molecular weight of 403.18 g/mol. Its IUPAC name is N-[1-(2,4-dibromophenyl)-2-thiophen-2-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dibromophenyl)-2-thiophen-2-ylethyl]propan-1-amine
PubChem CID107945447
Molecular FormulaC15H17Br2NS
Molecular Weight403.18 g/mol
Exact Mass400.94
IUPAC NameN-[1-(2,4-dibromophenyl)-2-thiophen-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccs1)c1ccc(Br)cc1Br
InChIInChI=1S/C15H17Br2NS/c1-2-7-18-15(10-12-4-3-8-19-12)13-6-5-11(16)9-14(13)17/h3-6,8-9,15,18H,2,7,10H2,1H3
InChIKeyCRRUQUZMVXQTMV-UHFFFAOYSA-N
XLogP5.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.18
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-bromo-2-chlorophenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63527737
N-[2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107945453
N-[1-(2-bromofuran-3-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 106854675
N-[1-(2,4-dibromophenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 107946176
N-[1-(2,5-dimethylphenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63416075
N-[2-(5-bromo-2-pyridinyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107946720
N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 107945448
1-(5-bromo-2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860952
N-[2-(4-chlorophenyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107944998
1-(2,4-dibromophenyl)-3-methyl-N-propylbutan-1-amine
CID 107944978
N-[1-(4-chloro-2,5-difluorophenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 82771763
N-[2-thiophen-2-yl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 63528434

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dibromophenyl)-2-thiophen-2-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(2,4-dibromophenyl)-2-thiophen-2-ylethyl]propan-1-amine (CID 107945447) is N-[1-(2,4-dibromophenyl)-2-thiophen-2-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,4-dibromophenyl)-2-thiophen-2-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,4-dibromophenyl)-2-thiophen-2-ylethyl]propan-1-amine is CCCNC(Cc1cccs1)c1ccc(Br)cc1Br.
What is the InChIKey of N-[1-(2,4-dibromophenyl)-2-thiophen-2-ylethyl]propan-1-amine?
The InChIKey is CRRUQUZMVXQTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2NS/c1-2-7-18-15(10-12-4-3-8-19-12)13-6-5-11(16)9-14(13)17/h3-6,8-9,15,18H,2,7,10H2,1H3.
What are the key properties of N-[1-(2,4-dibromophenyl)-2-thiophen-2-ylethyl]propan-1-amine?
N-[1-(2,4-dibromophenyl)-2-thiophen-2-ylethyl]propan-1-amine has a molecular weight of 403.18 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dibromophenyl)-2-thiophen-2-ylethyl]propan-1-amine is sourced from PubChem (CID 107945447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).