N-ethyl-1-(2-methoxy-6-propylsulfanylphenyl)ethanamine

C14H23NOS — CID 113389112

IUPACN-ethyl-1-(2-methoxy-6-propylsulfanylphenyl)ethanamine
SMILESCCCSc1cccc(OC)c1C(C)NCC
InChIInChI=1S/C14H23NOS/c1-5-10-17-13-9-7-8-12(16-4)14(13)11(3)15-6-2/h7-9,11,15H,5-6,10H2,1-4H3
InChIKeyOWQSTKPOFIMXHX-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.87
Rot. Bonds7

About N-ethyl-1-(2-methoxy-6-propylsulfanylphenyl)ethanamine

N-ethyl-1-(2-methoxy-6-propylsulfanylphenyl)ethanamine (PubChem CID 113389112) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxy-6-propylsulfanylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxy-6-propylsulfanylphenyl)ethanamine
PubChem CID113389112
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC NameN-ethyl-1-(2-methoxy-6-propylsulfanylphenyl)ethanamine
SMILESCCCSc1cccc(OC)c1C(C)NCC
InChIInChI=1S/C14H23NOS/c1-5-10-17-13-9-7-8-12(16-4)14(13)11(3)15-6-2/h7-9,11,15H,5-6,10H2,1-4H3
InChIKeyOWQSTKPOFIMXHX-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-butan-2-ylsulfanyl-6-methoxyphenyl)-N-ethylethanamine
CID 113389108
N-ethyl-1-[2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 113389077
1-[2-[2-(dimethylamino)ethylsulfanyl]-6-methoxyphenyl]-N-methylethanamine
CID 113389150
N-ethyl-1-[2-fluoro-6-(2-methoxyphenoxy)phenyl]ethanamine
CID 43285597
1-(2,6-dimethoxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105052132
N-[(2,6-dimethoxyphenyl)-phenylmethyl]ethanamine
CID 43489150
1-(2,6-dimethoxyphenyl)-N-ethyl-2-ethylsulfanylethanamine
CID 116810456
1-(2,6-dimethoxyphenyl)-N-ethylpentan-1-amine
CID 116810587
2-[1-(ethylamino)ethyl]-3-methoxy-N-(2-methoxyethyl)-N-prop-2-enylaniline
CID 103339209
N-benzyl-2-[1-(ethylamino)ethyl]-3-methoxy-N-propan-2-ylaniline
CID 113388939
2-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]sulfanylacetamide
CID 114231324
4-(2-methoxyphenyl)sulfanyl-N-propylbutan-2-amine
CID 64628326

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxy-6-propylsulfanylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(2-methoxy-6-propylsulfanylphenyl)ethanamine (CID 113389112) is N-ethyl-1-(2-methoxy-6-propylsulfanylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-methoxy-6-propylsulfanylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-methoxy-6-propylsulfanylphenyl)ethanamine is CCCSc1cccc(OC)c1C(C)NCC.
What is the InChIKey of N-ethyl-1-(2-methoxy-6-propylsulfanylphenyl)ethanamine?
The InChIKey is OWQSTKPOFIMXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-5-10-17-13-9-7-8-12(16-4)14(13)11(3)15-6-2/h7-9,11,15H,5-6,10H2,1-4H3.
What are the key properties of N-ethyl-1-(2-methoxy-6-propylsulfanylphenyl)ethanamine?
N-ethyl-1-(2-methoxy-6-propylsulfanylphenyl)ethanamine has a molecular weight of 253.41 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methoxy-6-propylsulfanylphenyl)ethanamine is sourced from PubChem (CID 113389112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).