N-[2-(5-bromothiophen-2-yl)ethyl]-1-phenylpropan-2-amine

C15H18BrNS — CID 106042494

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-1-phenylpropan-2-amine
SMILESCC(Cc1ccccc1)NCCc1ccc(Br)s1
InChIInChI=1S/C15H18BrNS/c1-12(11-13-5-3-2-4-6-13)17-10-9-14-7-8-15(16)18-14/h2-8,12,17H,9-11H2,1H3
InChIKeyASUOFUYYMUWNLZ-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.27
Rot. Bonds6

About N-[2-(5-bromothiophen-2-yl)ethyl]-1-phenylpropan-2-amine

N-[2-(5-bromothiophen-2-yl)ethyl]-1-phenylpropan-2-amine (PubChem CID 106042494) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-1-phenylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-1-phenylpropan-2-amine
PubChem CID106042494
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-1-phenylpropan-2-amine
SMILESCC(Cc1ccccc1)NCCc1ccc(Br)s1
InChIInChI=1S/C15H18BrNS/c1-12(11-13-5-3-2-4-6-13)17-10-9-14-7-8-15(16)18-14/h2-8,12,17H,9-11H2,1H3
InChIKeyASUOFUYYMUWNLZ-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-1-phenylpropan-2-amine
CID 63012083
N-[2-(5-bromothiophen-2-yl)ethyl]pentan-2-amine
CID 115712481
N-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine
CID 115712476
N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopropylpropan-2-amine
CID 115712482
N-[2-(5-bromothiophen-2-yl)ethyl]-1-pyridin-2-ylethanamine
CID 113343837
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine
CID 106042738
N-[2-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 115712475
4-[2-[(5-bromothiophen-2-yl)methylamino]propyl]phenol
CID 78943406
3-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxybutanimidamide
CID 106034260
N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine
CID 7272117
2-[4-(5-bromothiophen-2-yl)butan-2-ylamino]ethanol
CID 83980502
N-[(5-methylthiophen-2-yl)methyl]-1-phenylpropan-2-amine
CID 63012085

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-1-phenylpropan-2-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-1-phenylpropan-2-amine (CID 106042494) is N-[2-(5-bromothiophen-2-yl)ethyl]-1-phenylpropan-2-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-1-phenylpropan-2-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-1-phenylpropan-2-amine is CC(Cc1ccccc1)NCCc1ccc(Br)s1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-1-phenylpropan-2-amine?
The InChIKey is ASUOFUYYMUWNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-12(11-13-5-3-2-4-6-13)17-10-9-14-7-8-15(16)18-14/h2-8,12,17H,9-11H2,1H3.
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-1-phenylpropan-2-amine?
N-[2-(5-bromothiophen-2-yl)ethyl]-1-phenylpropan-2-amine has a molecular weight of 324.29 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-1-phenylpropan-2-amine is sourced from PubChem (CID 106042494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).