(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylpropan-1-amine;hydrochloride

C10H17BrClNS — CID 171247467

IUPAC(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylpropan-1-amine;hydrochloride
SMILESCc1cc([C@H](N)C(C)(C)C)sc1Br.Cl
InChIInChI=1S/C10H16BrNS.ClH/c1-6-5-7(13-9(6)11)8(12)10(2,3)4;/h5,8H,12H2,1-4H3;1H/t8-;/m0./s1
InChIKeyWIFNWPPUFBDKPY-QRPNPIFTSA-N
MW298.68 g/mol
LogP4.29
Rot. Bonds1

About (1R)-1-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylpropan-1-amine;hydrochloride

(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylpropan-1-amine;hydrochloride (PubChem CID 171247467) has the molecular formula C10H17BrClNS and a molecular weight of 298.68 g/mol. Its IUPAC name is (1R)-1-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylpropan-1-amine;hydrochloride
PubChem CID171247467
Molecular FormulaC10H17BrClNS
Molecular Weight298.68 g/mol
Exact Mass297.00
IUPAC Name(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylpropan-1-amine;hydrochloride
SMILESCc1cc([C@H](N)C(C)(C)C)sc1Br.Cl
InChIInChI=1S/C10H16BrNS.ClH/c1-6-5-7(13-9(6)11)8(12)10(2,3)4;/h5,8H,12H2,1-4H3;1H/t8-;/m0./s1
InChIKeyWIFNWPPUFBDKPY-QRPNPIFTSA-N
XLogP4.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.68
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(5-bromo-4-methylthiophen-2-yl)prop-2-en-1-amine
CID 131039487
1-(5-bromo-4-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine
CID 79990885
2-bromo-5-(1-chloro-2-methylpropyl)-3-methylthiophene
CID 79991257
(R)-(5-bromo-4-methylthiophen-2-yl)-cyclopentylmethanamine;hydrochloride
CID 171203283
(4S)-4-amino-4-(5-bromo-4-methylthiophen-2-yl)butan-1-ol;hydrochloride
CID 171222868
[1-(5-bromo-4-methylthiophen-2-yl)-2-methylpropyl]hydrazine
CID 105281749
4-amino-4-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylbutanamide
CID 79991570
(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2-cyclopropylethanamine;hydrochloride
CID 171203275
(5-bromo-4-methylthiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanamine
CID 81156396
(1R)-1-(5-bromo-4-methylthiophen-2-yl)-3,3-difluoropropan-1-amine
CID 171313610
(5-bromo-4-methylthiophen-2-yl)-cyclobutylmethanamine
CID 79996891
(R)-(5-bromo-4-methylthiophen-2-yl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314278

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylpropan-1-amine;hydrochloride (CID 171247467) is (1R)-1-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylpropan-1-amine;hydrochloride is Cc1cc([C@H](N)C(C)(C)C)sc1Br.Cl.
What is the InChIKey of (1R)-1-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylpropan-1-amine;hydrochloride?
The InChIKey is WIFNWPPUFBDKPY-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H16BrNS.ClH/c1-6-5-7(13-9(6)11)8(12)10(2,3)4;/h5,8H,12H2,1-4H3;1H/t8-;/m0./s1.
What are the key properties of (1R)-1-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylpropan-1-amine;hydrochloride?
(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylpropan-1-amine;hydrochloride has a molecular weight of 298.68 g/mol, XLogP of 4.29, 1 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)-2,2-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 171247467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).