2-(2-chlorothiophen-3-yl)butan-2-amine

C8H12ClNS — CID 131092060

IUPAC2-(2-chlorothiophen-3-yl)butan-2-amine
SMILESCCC(C)(N)c1ccsc1Cl
InChIInChI=1S/C8H12ClNS/c1-3-8(2,10)6-4-5-11-7(6)9/h4-5H,3,10H2,1-2H3
InChIKeyZEFFMAYHLREMRM-UHFFFAOYSA-N
MW189.71 g/mol
LogP2.99
Rot. Bonds2

About 2-(2-chlorothiophen-3-yl)butan-2-amine

2-(2-chlorothiophen-3-yl)butan-2-amine (PubChem CID 131092060) has the molecular formula C8H12ClNS and a molecular weight of 189.71 g/mol. Its IUPAC name is 2-(2-chlorothiophen-3-yl)butan-2-amine.

Molecular Properties

Compound Name2-(2-chlorothiophen-3-yl)butan-2-amine
PubChem CID131092060
Molecular FormulaC8H12ClNS
Molecular Weight189.71 g/mol
Exact Mass189.04
IUPAC Name2-(2-chlorothiophen-3-yl)butan-2-amine
SMILESCCC(C)(N)c1ccsc1Cl
InChIInChI=1S/C8H12ClNS/c1-3-8(2,10)6-4-5-11-7(6)9/h4-5H,3,10H2,1-2H3
InChIKeyZEFFMAYHLREMRM-UHFFFAOYSA-N
XLogP2.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.71
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-thiophen-3-ylpent-4-en-2-amine
CID 130722882
2-(2-Fluorothiophen-3-yl)propan-2-amine
CID 96634228
4-(2-Chlorothiophen-3-yl)-4-fluoro-2-methylbutan-2-amine
CID 130689832
1-(2-Chlorothiophen-3-yl)-2,2-difluoropropan-1-amine
CID 131025447
1-(5-Chlorothiophen-3-yl)-2,2-difluorocyclopropan-1-amine
CID 165633652
1-(5-Chlorothiophen-3-yl)-4,4-difluorocyclohexan-1-amine
CID 165633661
3-(5-Chlorothiophen-3-yl)-1,1-difluoro-2-methylpropan-2-amine
CID 165653125
1-(5-Chlorothiophen-3-yl)-3,3-difluorocyclobutan-1-amine
CID 165850122
2-(5-Chlorothiophen-3-yl)-1,1-difluoropropan-2-amine
CID 165852565
1-(2-Chlorothiophen-3-yl)propan-2-amine
CID 19094023
2-(Thiophen-3-yl)propan-2-amine
CID 54421115
1-(Thiophen-3-yl)cyclopropan-1-amine
CID 56773735

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorothiophen-3-yl)butan-2-amine?
The IUPAC name of 2-(2-chlorothiophen-3-yl)butan-2-amine (CID 131092060) is 2-(2-chlorothiophen-3-yl)butan-2-amine.
What is the SMILES notation for 2-(2-chlorothiophen-3-yl)butan-2-amine?
The canonical SMILES for 2-(2-chlorothiophen-3-yl)butan-2-amine is CCC(C)(N)c1ccsc1Cl.
What is the InChIKey of 2-(2-chlorothiophen-3-yl)butan-2-amine?
The InChIKey is ZEFFMAYHLREMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNS/c1-3-8(2,10)6-4-5-11-7(6)9/h4-5H,3,10H2,1-2H3.
What are the key properties of 2-(2-chlorothiophen-3-yl)butan-2-amine?
2-(2-chlorothiophen-3-yl)butan-2-amine has a molecular weight of 189.71 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorothiophen-3-yl)butan-2-amine is sourced from PubChem (CID 131092060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).