2-[(4-bromothiophen-2-yl)methylamino]butan-1-ol;hydrochloride

C9H15BrClNOS — CID 132893007

IUPAC2-[(4-bromothiophen-2-yl)methylamino]butan-1-ol;hydrochloride
SMILESCCC(CO)NCc1cc(Br)cs1.Cl
InChIInChI=1S/C9H14BrNOS.ClH/c1-2-8(5-12)11-4-9-3-7(10)6-13-9;/h3,6,8,11-12H,2,4-5H2,1H3;1H
InChIKeyVQENOSFLOLYPAM-UHFFFAOYSA-N
MW300.65 g/mol
LogP2.79
Rot. Bonds5

About 2-[(4-bromothiophen-2-yl)methylamino]butan-1-ol;hydrochloride

2-[(4-bromothiophen-2-yl)methylamino]butan-1-ol;hydrochloride (PubChem CID 132893007) has the molecular formula C9H15BrClNOS and a molecular weight of 300.65 g/mol. Its IUPAC name is 2-[(4-bromothiophen-2-yl)methylamino]butan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-[(4-bromothiophen-2-yl)methylamino]butan-1-ol;hydrochloride
PubChem CID132893007
Molecular FormulaC9H15BrClNOS
Molecular Weight300.65 g/mol
Exact Mass298.97
IUPAC Name2-[(4-bromothiophen-2-yl)methylamino]butan-1-ol;hydrochloride
SMILESCCC(CO)NCc1cc(Br)cs1.Cl
InChIInChI=1S/C9H14BrNOS.ClH/c1-2-8(5-12)11-4-9-3-7(10)6-13-9;/h3,6,8,11-12H,2,4-5H2,1H3;1H
InChIKeyVQENOSFLOLYPAM-UHFFFAOYSA-N
XLogP2.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.65
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromothiophen-2-yl)methyl]-3-(1-hydroxybutan-2-yl)urea
CID 110894443
(2R)-2-[(5-bromothiophen-2-yl)methylamino]butan-1-ol
CID 28724340
(2S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 28833486
1-[(4-bromothiophen-2-yl)methylamino]-3-ethylpentan-2-ol
CID 115621916
2-[(4-bromothiophen-2-yl)methyl]butan-1-ol
CID 66059833
1-(4-bromothiophen-2-yl)-N-propylbutan-2-amine
CID 62601735
methyl 2-[(4-bromothiophen-2-yl)methylamino]-3-methylpentanoate
CID 43732481
N-[(4-bromothiophen-2-yl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271033
1-(4-bromothiophen-2-yl)butan-2-ylhydrazine
CID 105201113
1-(4-bromothiophen-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
CID 107167279
2-[(4-bromothiophen-2-yl)methylamino]-N-ethylpropanamide
CID 43400116
(2S)-2-amino-N-[(4-bromothiophen-2-yl)methyl]butanamide;hydrochloride
CID 119293800

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromothiophen-2-yl)methylamino]butan-1-ol;hydrochloride?
The IUPAC name of 2-[(4-bromothiophen-2-yl)methylamino]butan-1-ol;hydrochloride (CID 132893007) is 2-[(4-bromothiophen-2-yl)methylamino]butan-1-ol;hydrochloride.
What is the SMILES notation for 2-[(4-bromothiophen-2-yl)methylamino]butan-1-ol;hydrochloride?
The canonical SMILES for 2-[(4-bromothiophen-2-yl)methylamino]butan-1-ol;hydrochloride is CCC(CO)NCc1cc(Br)cs1.Cl.
What is the InChIKey of 2-[(4-bromothiophen-2-yl)methylamino]butan-1-ol;hydrochloride?
The InChIKey is VQENOSFLOLYPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNOS.ClH/c1-2-8(5-12)11-4-9-3-7(10)6-13-9;/h3,6,8,11-12H,2,4-5H2,1H3;1H.
What are the key properties of 2-[(4-bromothiophen-2-yl)methylamino]butan-1-ol;hydrochloride?
2-[(4-bromothiophen-2-yl)methylamino]butan-1-ol;hydrochloride has a molecular weight of 300.65 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromothiophen-2-yl)methylamino]butan-1-ol;hydrochloride is sourced from PubChem (CID 132893007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).