(4R)-4-amino-4-(4-bromothiophen-2-yl)butan-1-ol;hydrochloride

C8H13BrClNOS — CID 171198523

IUPAC(4R)-4-amino-4-(4-bromothiophen-2-yl)butan-1-ol;hydrochloride
SMILESCl.N[C@H](CCCO)c1cc(Br)cs1
InChIInChI=1S/C8H12BrNOS.ClH/c9-6-4-8(12-5-6)7(10)2-1-3-11;/h4-5,7,11H,1-3,10H2;1H/t7-;/m1./s1
InChIKeyFXQMUEAKHSXMBX-OGFXRTJISA-N
MW286.62 g/mol
LogP2.70
Rot. Bonds4

About (4R)-4-amino-4-(4-bromothiophen-2-yl)butan-1-ol;hydrochloride

(4R)-4-amino-4-(4-bromothiophen-2-yl)butan-1-ol;hydrochloride (PubChem CID 171198523) has the molecular formula C8H13BrClNOS and a molecular weight of 286.62 g/mol. Its IUPAC name is (4R)-4-amino-4-(4-bromothiophen-2-yl)butan-1-ol;hydrochloride.

Molecular Properties

Compound Name(4R)-4-amino-4-(4-bromothiophen-2-yl)butan-1-ol;hydrochloride
PubChem CID171198523
Molecular FormulaC8H13BrClNOS
Molecular Weight286.62 g/mol
Exact Mass284.96
IUPAC Name(4R)-4-amino-4-(4-bromothiophen-2-yl)butan-1-ol;hydrochloride
SMILESCl.N[C@H](CCCO)c1cc(Br)cs1
InChIInChI=1S/C8H12BrNOS.ClH/c9-6-4-8(12-5-6)7(10)2-1-3-11;/h4-5,7,11H,1-3,10H2;1H/t7-;/m1./s1
InChIKeyFXQMUEAKHSXMBX-OGFXRTJISA-N
XLogP2.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.62
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine
CID 131145468
1-(4-bromothiophen-2-yl)-4-ethylsulfonylbutan-1-amine
CID 65095567
(4R)-4-amino-4-(4,5-dibromothiophen-2-yl)butan-1-ol;hydrochloride
CID 171215570
1-(4-bromothiophen-2-yl)oct-7-en-1-amine
CID 107009134
(4S)-4-amino-4-(5-bromo-4-methylthiophen-2-yl)butan-1-ol;hydrochloride
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2,3-diamino-3-(4-bromothiophen-2-yl)propan-1-ol
CID 116942398
5-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]amino]pentan-1-ol
CID 107317095
(4R)-4-amino-4-(3,5-dibromophenyl)butan-1-ol
CID 171213954
(4S)-4-amino-4-(3,5-dibromophenyl)butan-1-ol
CID 171233582
3-amino-3-(4-chlorothiophen-2-yl)propan-1-ol
CID 79427562
3-amino-3-(4-bromothiophen-2-yl)-N-methylpropanehydrazide
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CID 155903190

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-(4-bromothiophen-2-yl)butan-1-ol;hydrochloride?
The IUPAC name of (4R)-4-amino-4-(4-bromothiophen-2-yl)butan-1-ol;hydrochloride (CID 171198523) is (4R)-4-amino-4-(4-bromothiophen-2-yl)butan-1-ol;hydrochloride.
What is the SMILES notation for (4R)-4-amino-4-(4-bromothiophen-2-yl)butan-1-ol;hydrochloride?
The canonical SMILES for (4R)-4-amino-4-(4-bromothiophen-2-yl)butan-1-ol;hydrochloride is Cl.N[C@H](CCCO)c1cc(Br)cs1.
What is the InChIKey of (4R)-4-amino-4-(4-bromothiophen-2-yl)butan-1-ol;hydrochloride?
The InChIKey is FXQMUEAKHSXMBX-OGFXRTJISA-N. The full InChI is InChI=1S/C8H12BrNOS.ClH/c9-6-4-8(12-5-6)7(10)2-1-3-11;/h4-5,7,11H,1-3,10H2;1H/t7-;/m1./s1.
What are the key properties of (4R)-4-amino-4-(4-bromothiophen-2-yl)butan-1-ol;hydrochloride?
(4R)-4-amino-4-(4-bromothiophen-2-yl)butan-1-ol;hydrochloride has a molecular weight of 286.62 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-4-(4-bromothiophen-2-yl)butan-1-ol;hydrochloride is sourced from PubChem (CID 171198523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).