(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2-cyclopropylethanamine;hydrochloride

C10H15BrClNS — CID 171203275

IUPAC(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2-cyclopropylethanamine;hydrochloride
SMILESCc1cc([C@H](N)CC2CC2)sc1Br.Cl
InChIInChI=1S/C10H14BrNS.ClH/c1-6-4-9(13-10(6)11)8(12)5-7-2-3-7;/h4,7-8H,2-3,5,12H2,1H3;1H/t8-;/m1./s1
InChIKeyXLZKUVDYHYBDSJ-DDWIOCJRSA-N
MW296.66 g/mol
LogP4.04
Rot. Bonds3

About (1R)-1-(5-bromo-4-methylthiophen-2-yl)-2-cyclopropylethanamine;hydrochloride

(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2-cyclopropylethanamine;hydrochloride (PubChem CID 171203275) has the molecular formula C10H15BrClNS and a molecular weight of 296.66 g/mol. Its IUPAC name is (1R)-1-(5-bromo-4-methylthiophen-2-yl)-2-cyclopropylethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2-cyclopropylethanamine;hydrochloride
PubChem CID171203275
Molecular FormulaC10H15BrClNS
Molecular Weight296.66 g/mol
Exact Mass294.98
IUPAC Name(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2-cyclopropylethanamine;hydrochloride
SMILESCc1cc([C@H](N)CC2CC2)sc1Br.Cl
InChIInChI=1S/C10H14BrNS.ClH/c1-6-4-9(13-10(6)11)8(12)5-7-2-3-7;/h4,7-8H,2-3,5,12H2,1H3;1H/t8-;/m1./s1
InChIKeyXLZKUVDYHYBDSJ-DDWIOCJRSA-N
XLogP4.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.66
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2-cyclopropylethanamine
CID 130055202
1-(5-bromo-4-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 79992064
(R)-(5-bromo-4-methylthiophen-2-yl)-cyclopentylmethanamine;hydrochloride
CID 171203283
(1R)-1-(5-bromo-4-methylthiophen-2-yl)-3,3-difluoropropan-1-amine
CID 171313610
2-cycloheptyl-1-(4,5-dibromothiophen-2-yl)ethanamine
CID 114457744
(5-bromo-4-methylthiophen-2-yl)-cyclobutylmethanamine
CID 79996891
1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanamine
CID 80530689
(R)-(5-bromo-4-methylthiophen-2-yl)-cyclohexylmethanamine
CID 171203284
(4S)-4-amino-4-(5-bromo-4-methylthiophen-2-yl)butan-1-ol;hydrochloride
CID 171222868
1-(5-bromo-4-methylthiophen-2-yl)-2-propan-2-yloxyethanamine
CID 105013420
(R)-(5-bromo-4-methylthiophen-2-yl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314278
(S)-(5-bromo-4-methylthiophen-2-yl)-(oxan-4-yl)methanamine
CID 131603717

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-bromo-4-methylthiophen-2-yl)-2-cyclopropylethanamine;hydrochloride?
The IUPAC name of (1R)-1-(5-bromo-4-methylthiophen-2-yl)-2-cyclopropylethanamine;hydrochloride (CID 171203275) is (1R)-1-(5-bromo-4-methylthiophen-2-yl)-2-cyclopropylethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-(5-bromo-4-methylthiophen-2-yl)-2-cyclopropylethanamine;hydrochloride?
The canonical SMILES for (1R)-1-(5-bromo-4-methylthiophen-2-yl)-2-cyclopropylethanamine;hydrochloride is Cc1cc([C@H](N)CC2CC2)sc1Br.Cl.
What is the InChIKey of (1R)-1-(5-bromo-4-methylthiophen-2-yl)-2-cyclopropylethanamine;hydrochloride?
The InChIKey is XLZKUVDYHYBDSJ-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H14BrNS.ClH/c1-6-4-9(13-10(6)11)8(12)5-7-2-3-7;/h4,7-8H,2-3,5,12H2,1H3;1H/t8-;/m1./s1.
What are the key properties of (1R)-1-(5-bromo-4-methylthiophen-2-yl)-2-cyclopropylethanamine;hydrochloride?
(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2-cyclopropylethanamine;hydrochloride has a molecular weight of 296.66 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-bromo-4-methylthiophen-2-yl)-2-cyclopropylethanamine;hydrochloride is sourced from PubChem (CID 171203275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).