1-(2,5-dibromothiophen-3-yl)-3-phenylpropan-1-amine

C13H13Br2NS — CID 43167403

IUPAC1-(2,5-dibromothiophen-3-yl)-3-phenylpropan-1-amine
SMILESNC(CCc1ccccc1)c1cc(Br)sc1Br
InChIInChI=1S/C13H13Br2NS/c14-12-8-10(13(15)17-12)11(16)7-6-9-4-2-1-3-5-9/h1-5,8,11H,6-7,16H2
InChIKeyJZXRNUNOWNNQQN-UHFFFAOYSA-N
MW375.13 g/mol
LogP4.91
Rot. Bonds4

About 1-(2,5-dibromothiophen-3-yl)-3-phenylpropan-1-amine

1-(2,5-dibromothiophen-3-yl)-3-phenylpropan-1-amine (PubChem CID 43167403) has the molecular formula C13H13Br2NS and a molecular weight of 375.13 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-3-phenylpropan-1-amine
PubChem CID43167403
Molecular FormulaC13H13Br2NS
Molecular Weight375.13 g/mol
Exact Mass372.91
IUPAC Name1-(2,5-dibromothiophen-3-yl)-3-phenylpropan-1-amine
SMILESNC(CCc1ccccc1)c1cc(Br)sc1Br
InChIInChI=1S/C13H13Br2NS/c14-12-8-10(13(15)17-12)11(16)7-6-9-4-2-1-3-5-9/h1-5,8,11H,6-7,16H2
InChIKeyJZXRNUNOWNNQQN-UHFFFAOYSA-N
XLogP4.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.13
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dibromothiophen-3-yl)decan-1-amine
CID 65447630
1-(5-bromo-2-fluorophenyl)-3-phenylpropan-1-amine
CID 79742290
1-(2,5-dibromothiophen-3-yl)-N-ethyl-4-phenylbutan-1-amine
CID 107968218
1-(2,5-dibromothiophen-3-yl)-2-thiophen-3-ylethanamine
CID 107962803
1-(2-methylphenyl)-3-phenylpropan-1-amine
CID 54919026
1-(2-chlorophenyl)-3-phenylpropan-1-amine
CID 54014885
1-(4-bromo-2-methoxyphenyl)-3-phenylpropan-1-amine
CID 115794460
1-(2,5-dibromothiophen-3-yl)-4-ethylsulfonylbutan-1-amine
CID 107968351
3-cyclopentyl-1-(2,5-dibromothiophen-3-yl)propan-1-amine
CID 43167433
1-(2,5-dibromothiophen-3-yl)-2-(3,5-dimethylphenyl)ethanamine
CID 107967937
1-(2,5-dibromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanamine
CID 107969352
1-(2-chloro-3-fluorophenyl)-3-phenylpropan-1-amine
CID 54088425

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-3-phenylpropan-1-amine?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-3-phenylpropan-1-amine (CID 43167403) is 1-(2,5-dibromothiophen-3-yl)-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-3-phenylpropan-1-amine?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-3-phenylpropan-1-amine is NC(CCc1ccccc1)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-3-phenylpropan-1-amine?
The InChIKey is JZXRNUNOWNNQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2NS/c14-12-8-10(13(15)17-12)11(16)7-6-9-4-2-1-3-5-9/h1-5,8,11H,6-7,16H2.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-3-phenylpropan-1-amine?
1-(2,5-dibromothiophen-3-yl)-3-phenylpropan-1-amine has a molecular weight of 375.13 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-3-phenylpropan-1-amine is sourced from PubChem (CID 43167403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).