2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-amine

C8H12ClNOS — CID 107359274

IUPAC2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-amine
SMILESCOCC(C)(N)c1sccc1Cl
InChIInChI=1S/C8H12ClNOS/c1-8(10,5-11-2)7-6(9)3-4-12-7/h3-4H,5,10H2,1-2H3
InChIKeyMCRGJLAXEPTUHC-UHFFFAOYSA-N
MW205.71 g/mol
LogP2.22
Rot. Bonds3

About 2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-amine

2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-amine (PubChem CID 107359274) has the molecular formula C8H12ClNOS and a molecular weight of 205.71 g/mol. Its IUPAC name is 2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-amine.

Molecular Properties

Compound Name2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-amine
PubChem CID107359274
Molecular FormulaC8H12ClNOS
Molecular Weight205.71 g/mol
Exact Mass205.03
IUPAC Name2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-amine
SMILESCOCC(C)(N)c1sccc1Cl
InChIInChI=1S/C8H12ClNOS/c1-8(10,5-11-2)7-6(9)3-4-12-7/h3-4H,5,10H2,1-2H3
InChIKeyMCRGJLAXEPTUHC-UHFFFAOYSA-N
XLogP2.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.71
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-ol
CID 107358992
2-(3-chlorothiophen-2-yl)propan-2-ol
CID 107358974
2-(3-chlorothiophen-2-yl)propan-2-amine;hydrochloride
CID 23622414
2-(3-chlorothiophen-2-yl)pentan-2-ol
CID 107359110
2-(3-chlorothiophen-2-yl)-3-methoxybutan-2-ol
CID 107359188
2-(3-chlorothiophen-2-yl)-2-methylpropanoic acid
CID 103845907
2-amino-1-(3-chlorothiophen-2-yl)-1-cyclopropylethanol
CID 107359149
2-(3-chlorothiophen-2-yl)-1-phenylpropan-2-ol
CID 107358997
1-(4-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethanol
CID 107358966
1-(3-chlorothiophen-2-yl)-1-phenylethanol
CID 107358959
2-(3-chlorothiophen-2-yl)-1-(cyclopropylamino)propan-2-ol
CID 107361168
3-amino-2-(3-chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol
CID 107360733

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-amine?
The IUPAC name of 2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-amine (CID 107359274) is 2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-amine.
What is the SMILES notation for 2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-amine?
The canonical SMILES for 2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-amine is COCC(C)(N)c1sccc1Cl.
What is the InChIKey of 2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-amine?
The InChIKey is MCRGJLAXEPTUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNOS/c1-8(10,5-11-2)7-6(9)3-4-12-7/h3-4H,5,10H2,1-2H3.
What are the key properties of 2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-amine?
2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-amine has a molecular weight of 205.71 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-amine is sourced from PubChem (CID 107359274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).