N-ethyl-1-(4-ethylsulfanylphenyl)-4-methoxy-4-methylpentan-1-amine

C17H29NOS — CID 106849061

IUPACN-ethyl-1-(4-ethylsulfanylphenyl)-4-methoxy-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)c1ccc(SCC)cc1
InChIInChI=1S/C17H29NOS/c1-6-18-16(12-13-17(3,4)19-5)14-8-10-15(11-9-14)20-7-2/h8-11,16,18H,6-7,12-13H2,1-5H3
InChIKeyZMRWUFKHAZXNBN-UHFFFAOYSA-N
MW295.49 g/mol
LogP4.65
Rot. Bonds9

About N-ethyl-1-(4-ethylsulfanylphenyl)-4-methoxy-4-methylpentan-1-amine

N-ethyl-1-(4-ethylsulfanylphenyl)-4-methoxy-4-methylpentan-1-amine (PubChem CID 106849061) has the molecular formula C17H29NOS and a molecular weight of 295.49 g/mol. Its IUPAC name is N-ethyl-1-(4-ethylsulfanylphenyl)-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-ethylsulfanylphenyl)-4-methoxy-4-methylpentan-1-amine
PubChem CID106849061
Molecular FormulaC17H29NOS
Molecular Weight295.49 g/mol
Exact Mass295.20
IUPAC NameN-ethyl-1-(4-ethylsulfanylphenyl)-4-methoxy-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)c1ccc(SCC)cc1
InChIInChI=1S/C17H29NOS/c1-6-18-16(12-13-17(3,4)19-5)14-8-10-15(11-9-14)20-7-2/h8-11,16,18H,6-7,12-13H2,1-5H3
InChIKeyZMRWUFKHAZXNBN-UHFFFAOYSA-N
XLogP4.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031551
1-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031318
1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103032151
4-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylaniline
CID 103031134
1-(3-chloro-5-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031415
1-(4-chlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 55186414
1-(5-bromofuran-2-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031302
1-(2-bromo-4-chlorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 107995834
N-ethyl-4,4,4-trifluoro-1-(4-methoxyphenyl)butan-1-amine
CID 64567410
1-(3-chloro-4-pyridinyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031354
N-ethyl-1-(4-methylsulfanylphenyl)butan-1-amine
CID 114982360
1-(1-benzofuran-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031752

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-ethylsulfanylphenyl)-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of N-ethyl-1-(4-ethylsulfanylphenyl)-4-methoxy-4-methylpentan-1-amine (CID 106849061) is N-ethyl-1-(4-ethylsulfanylphenyl)-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-ethylsulfanylphenyl)-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for N-ethyl-1-(4-ethylsulfanylphenyl)-4-methoxy-4-methylpentan-1-amine is CCNC(CCC(C)(C)OC)c1ccc(SCC)cc1.
What is the InChIKey of N-ethyl-1-(4-ethylsulfanylphenyl)-4-methoxy-4-methylpentan-1-amine?
The InChIKey is ZMRWUFKHAZXNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NOS/c1-6-18-16(12-13-17(3,4)19-5)14-8-10-15(11-9-14)20-7-2/h8-11,16,18H,6-7,12-13H2,1-5H3.
What are the key properties of N-ethyl-1-(4-ethylsulfanylphenyl)-4-methoxy-4-methylpentan-1-amine?
N-ethyl-1-(4-ethylsulfanylphenyl)-4-methoxy-4-methylpentan-1-amine has a molecular weight of 295.49 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-ethylsulfanylphenyl)-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 106849061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).