(1S)-1-(5-bromothiophen-2-yl)-2-methylbutan-1-amine;hydrochloride

C9H15BrClNS — CID 171222535

IUPAC(1S)-1-(5-bromothiophen-2-yl)-2-methylbutan-1-amine;hydrochloride
SMILESCCC(C)[C@H](N)c1ccc(Br)s1.Cl
InChIInChI=1S/C9H14BrNS.ClH/c1-3-6(2)9(11)7-4-5-8(10)12-7;/h4-6,9H,3,11H2,1-2H3;1H/t6?,9-;/m0./s1
InChIKeyYNWOMDKXHLXULN-PNBBGPGFSA-N
MW284.65 g/mol
LogP3.98
Rot. Bonds3

About (1S)-1-(5-bromothiophen-2-yl)-2-methylbutan-1-amine;hydrochloride

(1S)-1-(5-bromothiophen-2-yl)-2-methylbutan-1-amine;hydrochloride (PubChem CID 171222535) has the molecular formula C9H15BrClNS and a molecular weight of 284.65 g/mol. Its IUPAC name is (1S)-1-(5-bromothiophen-2-yl)-2-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(5-bromothiophen-2-yl)-2-methylbutan-1-amine;hydrochloride
PubChem CID171222535
Molecular FormulaC9H15BrClNS
Molecular Weight284.65 g/mol
Exact Mass282.98
IUPAC Name(1S)-1-(5-bromothiophen-2-yl)-2-methylbutan-1-amine;hydrochloride
SMILESCCC(C)[C@H](N)c1ccc(Br)s1.Cl
InChIInChI=1S/C9H14BrNS.ClH/c1-3-6(2)9(11)7-4-5-8(10)12-7;/h4-6,9H,3,11H2,1-2H3;1H/t6?,9-;/m0./s1
InChIKeyYNWOMDKXHLXULN-PNBBGPGFSA-N
XLogP3.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.65
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromothiophen-2-yl)-2-methylbutan-1-ol
CID 61081527
1-(5-chlorothiophen-2-yl)-2-methylbutan-1-amine
CID 43114556
1-(5-bromothiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116945742
1-amino-1-(5-bromothiophen-2-yl)-3-methylbutan-2-ol
CID 130146184
1-(5-bromo-4-chlorothiophen-2-yl)-2-methylbutan-1-amine
CID 80530869
1-(5-bromothiophen-2-yl)butane-1,3-diamine
CID 116933230
1-(5-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine
CID 66276064
1-(5-bromothiophen-2-yl)propylhydrazine
CID 105222163
1-(5-bromothiophen-2-yl)-1-(4-butan-2-ylpiperazin-1-yl)propan-2-amine
CID 62773231
[(1S)-1-(5-bromothiophen-2-yl)ethyl]hydrazine
CID 93426787
1-(5-bromothiophen-2-yl)-2-ethylbutan-1-ol
CID 61081920
(3R)-3-amino-3-(5-bromothiophen-2-yl)-2,2-dimethylpropan-1-ol
CID 130708717

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-bromothiophen-2-yl)-2-methylbutan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(5-bromothiophen-2-yl)-2-methylbutan-1-amine;hydrochloride (CID 171222535) is (1S)-1-(5-bromothiophen-2-yl)-2-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(5-bromothiophen-2-yl)-2-methylbutan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(5-bromothiophen-2-yl)-2-methylbutan-1-amine;hydrochloride is CCC(C)[C@H](N)c1ccc(Br)s1.Cl.
What is the InChIKey of (1S)-1-(5-bromothiophen-2-yl)-2-methylbutan-1-amine;hydrochloride?
The InChIKey is YNWOMDKXHLXULN-PNBBGPGFSA-N. The full InChI is InChI=1S/C9H14BrNS.ClH/c1-3-6(2)9(11)7-4-5-8(10)12-7;/h4-6,9H,3,11H2,1-2H3;1H/t6?,9-;/m0./s1.
What are the key properties of (1S)-1-(5-bromothiophen-2-yl)-2-methylbutan-1-amine;hydrochloride?
(1S)-1-(5-bromothiophen-2-yl)-2-methylbutan-1-amine;hydrochloride has a molecular weight of 284.65 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-bromothiophen-2-yl)-2-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 171222535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).