(1R)-1-(5-chlorothiophen-2-yl)-3-methylbutan-1-amine;hydrochloride

C9H15Cl2NS — CID 171200575

IUPAC(1R)-1-(5-chlorothiophen-2-yl)-3-methylbutan-1-amine;hydrochloride
SMILESCC(C)C[C@@H](N)c1ccc(Cl)s1.Cl
InChIInChI=1S/C9H14ClNS.ClH/c1-6(2)5-7(11)8-3-4-9(10)12-8;/h3-4,6-7H,5,11H2,1-2H3;1H/t7-;/m1./s1
InChIKeyCFBYUCFSHYEKLA-OGFXRTJISA-N
MW240.20 g/mol
LogP3.87
Rot. Bonds3

About (1R)-1-(5-chlorothiophen-2-yl)-3-methylbutan-1-amine;hydrochloride

(1R)-1-(5-chlorothiophen-2-yl)-3-methylbutan-1-amine;hydrochloride (PubChem CID 171200575) has the molecular formula C9H15Cl2NS and a molecular weight of 240.20 g/mol. Its IUPAC name is (1R)-1-(5-chlorothiophen-2-yl)-3-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(5-chlorothiophen-2-yl)-3-methylbutan-1-amine;hydrochloride
PubChem CID171200575
Molecular FormulaC9H15Cl2NS
Molecular Weight240.20 g/mol
Exact Mass239.03
IUPAC Name(1R)-1-(5-chlorothiophen-2-yl)-3-methylbutan-1-amine;hydrochloride
SMILESCC(C)C[C@@H](N)c1ccc(Cl)s1.Cl
InChIInChI=1S/C9H14ClNS.ClH/c1-6(2)5-7(11)8-3-4-9(10)12-8;/h3-4,6-7H,5,11H2,1-2H3;1H/t7-;/m1./s1
InChIKeyCFBYUCFSHYEKLA-OGFXRTJISA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.20
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(5-chlorothiophen-2-yl)propan-1-amine;hydrochloride
CID 171200569
(1S)-1-(5-chlorothiophen-2-yl)propane-1,3-diamine;hydrochloride
CID 171220102
(1R)-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171200577
(1S)-1-(5-chlorothiophen-2-yl)hexan-1-amine;hydrochloride
CID 171220112
1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine
CID 43114604
1-(5-chlorothiophen-2-yl)-2-methylbutan-1-amine
CID 43114556
2-amino-5-(5-chlorothiophen-2-yl)hexan-3-ol
CID 83934933
1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid
CID 19830112
(1R)-3-methyl-1-(5-nitrothiophen-2-yl)butan-1-amine
CID 171216739
1-(5-chlorothiophen-2-yl)-2,2-dimethylbutan-1-amine
CID 62679931
methyl 3-amino-3-(5-chlorothiophen-2-yl)propanoate
CID 43146898
1-(5-chlorothiophen-2-yl)-N-ethyl-3,5-dimethylhexan-1-amine
CID 114201788

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-chlorothiophen-2-yl)-3-methylbutan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(5-chlorothiophen-2-yl)-3-methylbutan-1-amine;hydrochloride (CID 171200575) is (1R)-1-(5-chlorothiophen-2-yl)-3-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(5-chlorothiophen-2-yl)-3-methylbutan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(5-chlorothiophen-2-yl)-3-methylbutan-1-amine;hydrochloride is CC(C)C[C@@H](N)c1ccc(Cl)s1.Cl.
What is the InChIKey of (1R)-1-(5-chlorothiophen-2-yl)-3-methylbutan-1-amine;hydrochloride?
The InChIKey is CFBYUCFSHYEKLA-OGFXRTJISA-N. The full InChI is InChI=1S/C9H14ClNS.ClH/c1-6(2)5-7(11)8-3-4-9(10)12-8;/h3-4,6-7H,5,11H2,1-2H3;1H/t7-;/m1./s1.
What are the key properties of (1R)-1-(5-chlorothiophen-2-yl)-3-methylbutan-1-amine;hydrochloride?
(1R)-1-(5-chlorothiophen-2-yl)-3-methylbutan-1-amine;hydrochloride has a molecular weight of 240.20 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-chlorothiophen-2-yl)-3-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 171200575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).