2-(4-bromophenyl)-1-thiophen-3-ylpropan-2-amine

C13H14BrNS — CID 62622195

IUPAC2-(4-bromophenyl)-1-thiophen-3-ylpropan-2-amine
SMILESCC(N)(Cc1ccsc1)c1ccc(Br)cc1
InChIInChI=1S/C13H14BrNS/c1-13(15,8-10-6-7-16-9-10)11-2-4-12(14)5-3-11/h2-7,9H,8,15H2,1H3
InChIKeySYVUHHNIVQCCAO-UHFFFAOYSA-N
MW296.23 g/mol
LogP3.93
Rot. Bonds3

About 2-(4-bromophenyl)-1-thiophen-3-ylpropan-2-amine

2-(4-bromophenyl)-1-thiophen-3-ylpropan-2-amine (PubChem CID 62622195) has the molecular formula C13H14BrNS and a molecular weight of 296.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-thiophen-3-ylpropan-2-amine
PubChem CID62622195
Molecular FormulaC13H14BrNS
Molecular Weight296.23 g/mol
Exact Mass295.00
IUPAC Name2-(4-bromophenyl)-1-thiophen-3-ylpropan-2-amine
SMILESCC(N)(Cc1ccsc1)c1ccc(Br)cc1
InChIInChI=1S/C13H14BrNS/c1-13(15,8-10-6-7-16-9-10)11-2-4-12(14)5-3-11/h2-7,9H,8,15H2,1H3
InChIKeySYVUHHNIVQCCAO-UHFFFAOYSA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-1-(5-bromo-3-pyridinyl)propan-2-amine
CID 104802785
1-(3-bromo-5-fluorophenyl)-2-(4-bromophenyl)propan-2-amine
CID 79701638
1-(4-bromophenyl)-2-(3,4-dimethylphenyl)propan-2-amine
CID 63411763
3-[3-bromo-2-(bromomethyl)-2-methylpropyl]thiophene
CID 79453790
2-methyl-3-(thiophen-3-ylmethyl)pentan-3-amine
CID 62622769
3-[2-(bromomethyl)-2-ethylbutyl]thiophene
CID 66050912
2-(4-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-2-amine
CID 55096063
2-(4-bromophenyl)-1-(2-fluorophenyl)propan-2-amine
CID 60799509
1-(4-bromo-2-fluorophenyl)-2-(4-bromophenyl)propan-2-amine
CID 55187150
2-methyl-2-(thiophen-3-ylmethyl)butan-1-amine
CID 62723704
2-(2,4-dichloro-5-fluorophenyl)-1-thiophen-3-ylpropan-2-amine
CID 62622766
1-(2-bromo-4-fluorophenyl)-2-(4-bromophenyl)propan-2-amine
CID 63408189

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of 2-(4-bromophenyl)-1-thiophen-3-ylpropan-2-amine (CID 62622195) is 2-(4-bromophenyl)-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for 2-(4-bromophenyl)-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for 2-(4-bromophenyl)-1-thiophen-3-ylpropan-2-amine is CC(N)(Cc1ccsc1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-thiophen-3-ylpropan-2-amine?
The InChIKey is SYVUHHNIVQCCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNS/c1-13(15,8-10-6-7-16-9-10)11-2-4-12(14)5-3-11/h2-7,9H,8,15H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-thiophen-3-ylpropan-2-amine?
2-(4-bromophenyl)-1-thiophen-3-ylpropan-2-amine has a molecular weight of 296.23 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 62622195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).