1-[(2-methylpropan-2-yl)oxy]-3-thiophen-3-ylpropan-2-amine

C11H19NOS — CID 105137519

IUPAC1-[(2-methylpropan-2-yl)oxy]-3-thiophen-3-ylpropan-2-amine
SMILESCC(C)(C)OCC(N)Cc1ccsc1
InChIInChI=1S/C11H19NOS/c1-11(2,3)13-7-10(12)6-9-4-5-14-8-9/h4-5,8,10H,6-7,12H2,1-3H3
InChIKeyACZFPOGARBIKEQ-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.43
Rot. Bonds4

About 1-[(2-methylpropan-2-yl)oxy]-3-thiophen-3-ylpropan-2-amine

1-[(2-methylpropan-2-yl)oxy]-3-thiophen-3-ylpropan-2-amine (PubChem CID 105137519) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-3-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-3-thiophen-3-ylpropan-2-amine
PubChem CID105137519
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-3-thiophen-3-ylpropan-2-amine
SMILESCC(C)(C)OCC(N)Cc1ccsc1
InChIInChI=1S/C11H19NOS/c1-11(2,3)13-7-10(12)6-9-4-5-14-8-9/h4-5,8,10H,6-7,12H2,1-3H3
InChIKeyACZFPOGARBIKEQ-UHFFFAOYSA-N
XLogP2.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 18711783
3-ethoxy-3-methyl-1-thiophen-3-ylpentan-2-amine
CID 116758590
1-thiophen-3-ylundecan-2-amine
CID 65427688
1-thiophen-3-ylheptan-2-amine
CID 61077742
(2S,3S)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-thiophen-3-ylbutanoic acid
CID 95476060
3-methyl-1-thiophen-3-ylbutan-2-amine
CID 61079756
1-(3,4-dimethoxyphenyl)-3-thiophen-3-ylpropan-2-amine
CID 55095413
(2R)-1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine
CID 94413392
1-(3-chloro-4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 103042919
2-[(2-methylpropan-2-yl)oxy]-1-thiophen-3-ylethanol
CID 105102674
3-methoxy-1-thiophen-3-ylbutan-2-amine
CID 79616789
[2-[(2-methylpropan-2-yl)oxy]-1-thiophen-3-ylethyl]hydrazine
CID 105312095

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-thiophen-3-ylpropan-2-amine?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-thiophen-3-ylpropan-2-amine (CID 105137519) is 1-[(2-methylpropan-2-yl)oxy]-3-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-3-thiophen-3-ylpropan-2-amine?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-3-thiophen-3-ylpropan-2-amine is CC(C)(C)OCC(N)Cc1ccsc1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-3-thiophen-3-ylpropan-2-amine?
The InChIKey is ACZFPOGARBIKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-11(2,3)13-7-10(12)6-9-4-5-14-8-9/h4-5,8,10H,6-7,12H2,1-3H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-3-thiophen-3-ylpropan-2-amine?
1-[(2-methylpropan-2-yl)oxy]-3-thiophen-3-ylpropan-2-amine has a molecular weight of 213.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-3-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 105137519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).