(1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine

C8H12BrNS — CID 131098099

IUPAC(1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine
SMILESCC(C)[C@H](N)c1sccc1Br
InChIInChI=1S/C8H12BrNS/c1-5(2)7(10)8-6(9)3-4-11-8/h3-5,7H,10H2,1-2H3/t7-/m0/s1
InChIKeyIUMARBFMSMASHG-ZETCQYMHSA-N
MW234.16 g/mol
LogP3.17
Rot. Bonds2

About (1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine

(1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine (PubChem CID 131098099) has the molecular formula C8H12BrNS and a molecular weight of 234.16 g/mol. Its IUPAC name is (1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine
PubChem CID131098099
Molecular FormulaC8H12BrNS
Molecular Weight234.16 g/mol
Exact Mass232.99
IUPAC Name(1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine
SMILESCC(C)[C@H](N)c1sccc1Br
InChIInChI=1S/C8H12BrNS/c1-5(2)7(10)8-6(9)3-4-11-8/h3-5,7H,10H2,1-2H3/t7-/m0/s1
InChIKeyIUMARBFMSMASHG-ZETCQYMHSA-N
XLogP3.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.16
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3-bromothiophen-2-yl)-4-methylpentan-1-amine;hydrochloride
CID 171230637
(3-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methanamine
CID 63796873
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-bromothiophen-2-yl)methanamine
CID 105042373
(1R)-1-(3-bromothiophen-2-yl)prop-2-en-1-amine;hydrochloride
CID 171211010
(3-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanamine
CID 63797040
(3-bromothiophen-2-yl)-(4-tert-butylphenyl)methanamine
CID 55240105
1-(3-bromothiophen-2-yl)-2-methylsulfonylethanamine
CID 80534875
(1R)-1-(3-bromothiophen-2-yl)-2-methylsulfonylethanamine
CID 130055235
[1-(3-bromothiophen-2-yl)-2,2-difluoroethyl]hydrazine
CID 105265250
2-(1-amino-2-methylpropyl)thiophene-3-carboxylic acid
CID 154602976
(1S)-1-(3-bromothiophen-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 131352754
(R)-(3-bromothiophen-2-yl)-thiophen-2-ylmethanamine;hydrochloride
CID 171211028

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine?
The IUPAC name of (1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine (CID 131098099) is (1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for (1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for (1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine is CC(C)[C@H](N)c1sccc1Br.
What is the InChIKey of (1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine?
The InChIKey is IUMARBFMSMASHG-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12BrNS/c1-5(2)7(10)8-6(9)3-4-11-8/h3-5,7H,10H2,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine?
(1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine has a molecular weight of 234.16 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 131098099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).