1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride

C8H13Cl2NS — CID 170888362

IUPAC1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride
SMILESCCC(N)Cc1ccc(Cl)s1.Cl
InChIInChI=1S/C8H12ClNS.ClH/c1-2-6(10)5-7-3-4-8(9)11-7;/h3-4,6H,2,5,10H2,1H3;1H
InChIKeyYKRZMNAXHIXQPI-UHFFFAOYSA-N
MW226.17 g/mol
LogP3.10
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride

1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride (PubChem CID 170888362) has the molecular formula C8H13Cl2NS and a molecular weight of 226.17 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride
PubChem CID170888362
Molecular FormulaC8H13Cl2NS
Molecular Weight226.17 g/mol
Exact Mass225.01
IUPAC Name1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride
SMILESCCC(N)Cc1ccc(Cl)s1.Cl
InChIInChI=1S/C8H12ClNS.ClH/c1-2-6(10)5-7-3-4-8(9)11-7;/h3-4,6H,2,5,10H2,1H3;1H
InChIKeyYKRZMNAXHIXQPI-UHFFFAOYSA-N
XLogP3.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.17
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2-aminobutyl)thiophen-2-yl]butan-2-amine;hydrochloride
CID 170888988
2-amino-3-(5-chlorothiophen-2-yl)propan-1-ol;hydrochloride
CID 170891756
1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-amine
CID 63891076
1-(5-chlorothiophen-2-yl)-3-propan-2-yloxypropan-2-amine
CID 105135075
1-(5-bromothiophen-2-yl)butan-2-amine
CID 43565983
1-(5-chlorothiophen-2-yl)-5-ethoxypentan-2-amine
CID 105135317
1-(5-chlorothiophen-2-yl)-5,5,5-trifluoropentan-2-amine
CID 79952579
1-[3-bromo-4-[(5-chlorothiophen-2-yl)methoxy]phenyl]butan-2-amine
CID 63421902
2-chloro-5-(2-methylsulfanylbutyl)thiophene
CID 54222118
1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 62899977
2-(5-chlorothiophen-2-yl)-1-(4-ethylphenyl)ethanamine
CID 55095727
ethyl 2-amino-3-(5-chlorothiophen-2-yl)propanoate
CID 62962765

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride?
The IUPAC name of 1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride (CID 170888362) is 1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride is CCC(N)Cc1ccc(Cl)s1.Cl.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride?
The InChIKey is YKRZMNAXHIXQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNS.ClH/c1-2-6(10)5-7-3-4-8(9)11-7;/h3-4,6H,2,5,10H2,1H3;1H.
What are the key properties of 1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride?
1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride has a molecular weight of 226.17 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride is sourced from PubChem (CID 170888362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).