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

C12H18BrNS — CID 115712482

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopropylpropan-2-amine
SMILESCC(CC1CC1)NCCc1ccc(Br)s1
InChIInChI=1S/C12H18BrNS/c1-9(8-10-2-3-10)14-7-6-11-4-5-12(13)15-11/h4-5,9-10,14H,2-3,6-8H2,1H3
InChIKeyVRJGWDOWXMTIBX-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.83
Rot. Bonds6

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

N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopropylpropan-2-amine (PubChem CID 115712482) has the molecular formula C12H18BrNS and a molecular weight of 288.25 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopropylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopropylpropan-2-amine
PubChem CID115712482
Molecular FormulaC12H18BrNS
Molecular Weight288.25 g/mol
Exact Mass287.03
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopropylpropan-2-amine
SMILESCC(CC1CC1)NCCc1ccc(Br)s1
InChIInChI=1S/C12H18BrNS/c1-9(8-10-2-3-10)14-7-6-11-4-5-12(13)15-11/h4-5,9-10,14H,2-3,6-8H2,1H3
InChIKeyVRJGWDOWXMTIBX-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylpropanamide
CID 112735476
N-[2-(5-bromothiophen-2-yl)ethyl]-1-phenylpropan-2-amine
CID 106042494
N-[2-(5-bromothiophen-2-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 106043985
3-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxybutanimidamide
CID 106034260
2-[4-(5-bromothiophen-2-yl)butan-2-ylamino]ethanol
CID 83980502
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 106043282
5-(5-bromothiophen-2-yl)-N-propylpentan-2-amine
CID 64504724
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine
CID 106042738
1-[2-(5-bromothiophen-2-yl)ethyl]-3-(cyclopropylmethyl)-2-methylguanidine
CID 111863259
N-[(5-bromothiophen-2-yl)methyl]-1-cyclopentylethanamine
CID 62632475

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopropylpropan-2-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopropylpropan-2-amine (CID 115712482) is N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopropylpropan-2-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopropylpropan-2-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopropylpropan-2-amine is CC(CC1CC1)NCCc1ccc(Br)s1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopropylpropan-2-amine?
The InChIKey is VRJGWDOWXMTIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNS/c1-9(8-10-2-3-10)14-7-6-11-4-5-12(13)15-11/h4-5,9-10,14H,2-3,6-8H2,1H3.
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopropylpropan-2-amine?
N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopropylpropan-2-amine has a molecular weight of 288.25 g/mol, XLogP of 3.83, 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-cyclopropylpropan-2-amine is sourced from PubChem (CID 115712482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).