1-(2-cyclopropylethoxy)-1-(3-methylthiophen-2-yl)propan-2-amine

C13H21NOS — CID 106199961

IUPAC1-(2-cyclopropylethoxy)-1-(3-methylthiophen-2-yl)propan-2-amine
SMILESCc1ccsc1C(OCCC1CC1)C(C)N
InChIInChI=1S/C13H21NOS/c1-9-6-8-16-13(9)12(10(2)14)15-7-5-11-3-4-11/h6,8,10-12H,3-5,7,14H2,1-2H3
InChIKeyFXAVEELVEVFWAZ-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.26
Rot. Bonds6

About 1-(2-cyclopropylethoxy)-1-(3-methylthiophen-2-yl)propan-2-amine

1-(2-cyclopropylethoxy)-1-(3-methylthiophen-2-yl)propan-2-amine (PubChem CID 106199961) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 1-(2-cyclopropylethoxy)-1-(3-methylthiophen-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-cyclopropylethoxy)-1-(3-methylthiophen-2-yl)propan-2-amine
PubChem CID106199961
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name1-(2-cyclopropylethoxy)-1-(3-methylthiophen-2-yl)propan-2-amine
SMILESCc1ccsc1C(OCCC1CC1)C(C)N
InChIInChI=1S/C13H21NOS/c1-9-6-8-16-13(9)12(10(2)14)15-7-5-11-3-4-11/h6,8,10-12H,3-5,7,14H2,1-2H3
InChIKeyFXAVEELVEVFWAZ-UHFFFAOYSA-N
XLogP3.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-dimethylbutoxy)-1-(3-methylthiophen-2-yl)propan-2-amine
CID 66233569
1-[2-(3-methoxypropoxy)ethoxy]-1-(3-methylthiophen-2-yl)propan-2-amine
CID 103176953
1-(2-cyclopropylethoxy)-1-(4-methylphenyl)propan-2-amine
CID 106199991
1-(cyclopentylmethoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 66322795
1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-(3-methylthiophen-2-yl)butan-2-amine
CID 112587258
1-(3-methylthiophen-2-yl)-1-(2-propoxyethoxy)butan-2-amine
CID 55232648
1-(3-methoxy-3-methylbutoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 106664979
1-(2-bromophenyl)-1-(2-cyclobutylethoxy)propan-2-amine
CID 106200055
1-(2-cyclobutylethoxy)-1-thiophen-2-ylbutan-2-amine
CID 106200095
1-(3-ethylpyrrolidin-1-yl)-1-(3-methylthiophen-2-yl)propan-2-amine
CID 113416980
1-(2-cyclobutylethoxy)-1-pyridin-2-ylpropan-2-amine
CID 106200221
2-(2-cyclopropylethoxy)-1-(4-methylphenyl)propan-1-amine
CID 114157364

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethoxy)-1-(3-methylthiophen-2-yl)propan-2-amine?
The IUPAC name of 1-(2-cyclopropylethoxy)-1-(3-methylthiophen-2-yl)propan-2-amine (CID 106199961) is 1-(2-cyclopropylethoxy)-1-(3-methylthiophen-2-yl)propan-2-amine.
What is the SMILES notation for 1-(2-cyclopropylethoxy)-1-(3-methylthiophen-2-yl)propan-2-amine?
The canonical SMILES for 1-(2-cyclopropylethoxy)-1-(3-methylthiophen-2-yl)propan-2-amine is Cc1ccsc1C(OCCC1CC1)C(C)N.
What is the InChIKey of 1-(2-cyclopropylethoxy)-1-(3-methylthiophen-2-yl)propan-2-amine?
The InChIKey is FXAVEELVEVFWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-9-6-8-16-13(9)12(10(2)14)15-7-5-11-3-4-11/h6,8,10-12H,3-5,7,14H2,1-2H3.
What are the key properties of 1-(2-cyclopropylethoxy)-1-(3-methylthiophen-2-yl)propan-2-amine?
1-(2-cyclopropylethoxy)-1-(3-methylthiophen-2-yl)propan-2-amine has a molecular weight of 239.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethoxy)-1-(3-methylthiophen-2-yl)propan-2-amine is sourced from PubChem (CID 106199961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).