1-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethylpropan-1-amine

C12H18BrNS — CID 105010609

IUPAC1-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethylpropan-1-amine
SMILESCCNC(c1cscc1Br)C(C)C1CC1
InChIInChI=1S/C12H18BrNS/c1-3-14-12(8(2)9-4-5-9)10-6-15-7-11(10)13/h6-9,12,14H,3-5H2,1-2H3
InChIKeyLHTSAIGUXZSTHB-UHFFFAOYSA-N
MW288.25 g/mol
LogP4.21
Rot. Bonds5

About 1-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethylpropan-1-amine

1-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethylpropan-1-amine (PubChem CID 105010609) has the molecular formula C12H18BrNS and a molecular weight of 288.25 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethylpropan-1-amine
PubChem CID105010609
Molecular FormulaC12H18BrNS
Molecular Weight288.25 g/mol
Exact Mass287.03
IUPAC Name1-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethylpropan-1-amine
SMILESCCNC(c1cscc1Br)C(C)C1CC1
InChIInChI=1S/C12H18BrNS/c1-3-14-12(8(2)9-4-5-9)10-6-15-7-11(10)13/h6-9,12,14H,3-5H2,1-2H3
InChIKeyLHTSAIGUXZSTHB-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-bromothiophen-3-yl)-2-cyclopropylpropyl]hydrazine
CID 105322583
N-[(4-bromothiophen-3-yl)-(4-butylcyclohexyl)methyl]ethanamine
CID 105010508
N-[(4-bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methyl]ethanamine
CID 105166720
4-(4-bromothiophen-3-yl)-N-ethylpentan-2-amine
CID 79602709
N-[(4-bromothiophen-3-yl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107189939
1-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 83155186
1-(4-bromothiophen-3-yl)-N,2-dimethylbutan-1-amine
CID 79596424
2-(4-bromothiophen-3-yl)-2-(ethylamino)acetonitrile
CID 130524690
2-cyclopropyl-1-(2,5-difluorophenyl)-N-ethylpropan-1-amine
CID 83153802
N-[(4-bromothiophen-3-yl)-(thiolan-3-yl)methyl]propan-1-amine
CID 105166760
2-cyclopropyl-N-ethyl-1-(4-methylphenyl)propan-1-amine
CID 83154579
(4-bromothiophen-3-yl)-cyclopropylmethanol
CID 79596364

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethylpropan-1-amine?
The IUPAC name of 1-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethylpropan-1-amine (CID 105010609) is 1-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethylpropan-1-amine.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethylpropan-1-amine?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethylpropan-1-amine is CCNC(c1cscc1Br)C(C)C1CC1.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethylpropan-1-amine?
The InChIKey is LHTSAIGUXZSTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNS/c1-3-14-12(8(2)9-4-5-9)10-6-15-7-11(10)13/h6-9,12,14H,3-5H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethylpropan-1-amine?
1-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethylpropan-1-amine has a molecular weight of 288.25 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethylpropan-1-amine is sourced from PubChem (CID 105010609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).