3-[(4-bromothiophen-2-yl)methylamino]-3-cyclopropylpropan-1-ol

C11H16BrNOS — CID 115646629

IUPAC3-[(4-bromothiophen-2-yl)methylamino]-3-cyclopropylpropan-1-ol
SMILESOCCC(NCc1cc(Br)cs1)C1CC1
InChIInChI=1S/C11H16BrNOS/c12-9-5-10(15-7-9)6-13-11(3-4-14)8-1-2-8/h5,7-8,11,13-14H,1-4,6H2
InChIKeyYWNGEANLYUWLCV-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.76
Rot. Bonds6

About 3-[(4-bromothiophen-2-yl)methylamino]-3-cyclopropylpropan-1-ol

3-[(4-bromothiophen-2-yl)methylamino]-3-cyclopropylpropan-1-ol (PubChem CID 115646629) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 3-[(4-bromothiophen-2-yl)methylamino]-3-cyclopropylpropan-1-ol.

Molecular Properties

Compound Name3-[(4-bromothiophen-2-yl)methylamino]-3-cyclopropylpropan-1-ol
PubChem CID115646629
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name3-[(4-bromothiophen-2-yl)methylamino]-3-cyclopropylpropan-1-ol
SMILESOCCC(NCc1cc(Br)cs1)C1CC1
InChIInChI=1S/C11H16BrNOS/c12-9-5-10(15-7-9)6-13-11(3-4-14)8-1-2-8/h5,7-8,11,13-14H,1-4,6H2
InChIKeyYWNGEANLYUWLCV-UHFFFAOYSA-N
XLogP2.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-3-(thiophen-2-ylmethylamino)propan-1-ol
CID 115646628
N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine
CID 63478526
3-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-3-cyclopropylpropan-1-ol
CID 111457490
3-cyclopropyl-3-(pyridin-4-ylmethylamino)propan-1-ol
CID 111457420
2-[(4-bromothiophen-2-yl)methylamino]butan-1-ol;hydrochloride
CID 132893007
3-cyclopropyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 111457473
2-[(4-bromothiophen-2-yl)methylamino]-N-ethylpropanamide
CID 43400116
(2S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 28833486
[2-(4-bromothiophen-2-yl)-1-cyclopentylethyl]hydrazine
CID 105204458
3-[(4-bromo-3-nitrophenyl)methylamino]-3-cyclopropylpropan-1-ol
CID 111457462
(1S)-N-[(4-bromothiophen-2-yl)methyl]-1-[(2S)-oxolan-2-yl]ethanamine
CID 28973023
3-cyclopropyl-3-[(2-fluorophenyl)methylamino]propan-1-ol
CID 111457458

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromothiophen-2-yl)methylamino]-3-cyclopropylpropan-1-ol?
The IUPAC name of 3-[(4-bromothiophen-2-yl)methylamino]-3-cyclopropylpropan-1-ol (CID 115646629) is 3-[(4-bromothiophen-2-yl)methylamino]-3-cyclopropylpropan-1-ol.
What is the SMILES notation for 3-[(4-bromothiophen-2-yl)methylamino]-3-cyclopropylpropan-1-ol?
The canonical SMILES for 3-[(4-bromothiophen-2-yl)methylamino]-3-cyclopropylpropan-1-ol is OCCC(NCc1cc(Br)cs1)C1CC1.
What is the InChIKey of 3-[(4-bromothiophen-2-yl)methylamino]-3-cyclopropylpropan-1-ol?
The InChIKey is YWNGEANLYUWLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c12-9-5-10(15-7-9)6-13-11(3-4-14)8-1-2-8/h5,7-8,11,13-14H,1-4,6H2.
What are the key properties of 3-[(4-bromothiophen-2-yl)methylamino]-3-cyclopropylpropan-1-ol?
3-[(4-bromothiophen-2-yl)methylamino]-3-cyclopropylpropan-1-ol has a molecular weight of 290.23 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromothiophen-2-yl)methylamino]-3-cyclopropylpropan-1-ol is sourced from PubChem (CID 115646629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).