1-(3-chlorothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine

C10H16ClNOS — CID 107361905

IUPAC1-(3-chlorothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCC(C)(C)OCC(N)c1sccc1Cl
InChIInChI=1S/C10H16ClNOS/c1-10(2,3)13-6-8(12)9-7(11)4-5-14-9/h4-5,8H,6,12H2,1-3H3
InChIKeyBXZIGNZKAJARMG-UHFFFAOYSA-N
MW233.76 g/mol
LogP3.22
Rot. Bonds3

About 1-(3-chlorothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine

1-(3-chlorothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine (PubChem CID 107361905) has the molecular formula C10H16ClNOS and a molecular weight of 233.76 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
PubChem CID107361905
Molecular FormulaC10H16ClNOS
Molecular Weight233.76 g/mol
Exact Mass233.06
IUPAC Name1-(3-chlorothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCC(C)(C)OCC(N)c1sccc1Cl
InChIInChI=1S/C10H16ClNOS/c1-10(2,3)13-6-8(12)9-7(11)4-5-14-9/h4-5,8H,6,12H2,1-3H3
InChIKeyBXZIGNZKAJARMG-UHFFFAOYSA-N
XLogP3.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.76
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-chlorothiophen-2-yl)-2-methoxyethanamine
CID 130987016
1-(3-chlorothiophen-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 107361690
(1R)-1-(3-chlorothiophen-2-yl)-2-fluoroethanamine
CID 130714620
1-(3-chlorothiophen-2-yl)-4,4,4-trifluorobutan-1-amine
CID 80530078
1-(3-chlorothiophen-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019424
1-(3-chlorothiophen-2-yl)-3-methylsulfanylpropan-1-amine
CID 107361723
1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanamine
CID 80530112
1-(3-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 80529864
1-(3-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanamine
CID 115864309
1-(3-chlorothiophen-2-yl)heptan-1-amine
CID 114752614
(1S)-1-(3-chlorothiophen-2-yl)but-3-en-1-amine;hydrochloride
CID 171222754
1-(3-chlorothiophen-2-yl)hex-4-yn-1-amine
CID 105037487

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine (CID 107361905) is 1-(3-chlorothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine is CC(C)(C)OCC(N)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The InChIKey is BXZIGNZKAJARMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNOS/c1-10(2,3)13-6-8(12)9-7(11)4-5-14-9/h4-5,8H,6,12H2,1-3H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine?
1-(3-chlorothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine has a molecular weight of 233.76 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine is sourced from PubChem (CID 107361905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).