N-ethyl-1-(5-ethylthiophen-2-yl)-3-methoxypropan-2-amine

C12H21NOS — CID 62604111

IUPACN-ethyl-1-(5-ethylthiophen-2-yl)-3-methoxypropan-2-amine
SMILESCCNC(COC)Cc1ccc(CC)s1
InChIInChI=1S/C12H21NOS/c1-4-11-6-7-12(15-11)8-10(9-14-3)13-5-2/h6-7,10,13H,4-5,8-9H2,1-3H3
InChIKeyFLCCUMVPXCEIBU-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.48
Rot. Bonds7

About N-ethyl-1-(5-ethylthiophen-2-yl)-3-methoxypropan-2-amine

N-ethyl-1-(5-ethylthiophen-2-yl)-3-methoxypropan-2-amine (PubChem CID 62604111) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is N-ethyl-1-(5-ethylthiophen-2-yl)-3-methoxypropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-ethylthiophen-2-yl)-3-methoxypropan-2-amine
PubChem CID62604111
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC NameN-ethyl-1-(5-ethylthiophen-2-yl)-3-methoxypropan-2-amine
SMILESCCNC(COC)Cc1ccc(CC)s1
InChIInChI=1S/C12H21NOS/c1-4-11-6-7-12(15-11)8-10(9-14-3)13-5-2/h6-7,10,13H,4-5,8-9H2,1-3H3
InChIKeyFLCCUMVPXCEIBU-UHFFFAOYSA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(5-ethylthiophen-2-yl)-4-methoxybutan-2-amine
CID 62602949
N-ethyl-1-(5-ethylthiophen-2-yl)-3-propoxypropan-2-amine
CID 55094003
N-ethyl-1-(5-ethylthiophen-2-yl)-5-methoxypentan-2-amine
CID 65092166
N-ethyl-1-(5-ethylthiophen-2-yl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65132130
N-ethyl-1-(5-ethylthiophen-2-yl)decan-2-amine
CID 115842720
N-ethyl-1-ethylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 65127910
1-(2-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 63415364
N-ethyl-1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-amine
CID 105136068
N-ethyl-1-(5-ethylthiophen-2-yl)-3-methylbutan-2-amine
CID 62600764
N-ethyl-1-(5-ethylthiophen-2-yl)hexan-3-amine
CID 60996677
N-ethyl-1-(5-ethylthiophen-2-yl)-5-thiophen-2-ylpentan-2-amine
CID 105136134
N-ethyl-1-methoxy-3-thiophen-3-ylpropan-2-amine
CID 62604477

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-ethylthiophen-2-yl)-3-methoxypropan-2-amine?
The IUPAC name of N-ethyl-1-(5-ethylthiophen-2-yl)-3-methoxypropan-2-amine (CID 62604111) is N-ethyl-1-(5-ethylthiophen-2-yl)-3-methoxypropan-2-amine.
What is the SMILES notation for N-ethyl-1-(5-ethylthiophen-2-yl)-3-methoxypropan-2-amine?
The canonical SMILES for N-ethyl-1-(5-ethylthiophen-2-yl)-3-methoxypropan-2-amine is CCNC(COC)Cc1ccc(CC)s1.
What is the InChIKey of N-ethyl-1-(5-ethylthiophen-2-yl)-3-methoxypropan-2-amine?
The InChIKey is FLCCUMVPXCEIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-4-11-6-7-12(15-11)8-10(9-14-3)13-5-2/h6-7,10,13H,4-5,8-9H2,1-3H3.
What are the key properties of N-ethyl-1-(5-ethylthiophen-2-yl)-3-methoxypropan-2-amine?
N-ethyl-1-(5-ethylthiophen-2-yl)-3-methoxypropan-2-amine has a molecular weight of 227.37 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-ethylthiophen-2-yl)-3-methoxypropan-2-amine is sourced from PubChem (CID 62604111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).