N-ethyl-1-(3-ethylphenyl)-3-methylsulfanylpropan-1-amine

C14H23NS — CID 105171168

IUPACN-ethyl-1-(3-ethylphenyl)-3-methylsulfanylpropan-1-amine
SMILESCCNC(CCSC)c1cccc(CC)c1
InChIInChI=1S/C14H23NS/c1-4-12-7-6-8-13(11-12)14(15-5-2)9-10-16-3/h6-8,11,14-15H,4-5,9-10H2,1-3H3
InChIKeyNFIIGWBWURGPAF-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.65
Rot. Bonds7

About N-ethyl-1-(3-ethylphenyl)-3-methylsulfanylpropan-1-amine

N-ethyl-1-(3-ethylphenyl)-3-methylsulfanylpropan-1-amine (PubChem CID 105171168) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-ethyl-1-(3-ethylphenyl)-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-ethylphenyl)-3-methylsulfanylpropan-1-amine
PubChem CID105171168
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-ethyl-1-(3-ethylphenyl)-3-methylsulfanylpropan-1-amine
SMILESCCNC(CCSC)c1cccc(CC)c1
InChIInChI=1S/C14H23NS/c1-4-12-7-6-8-13(11-12)14(15-5-2)9-10-16-3/h6-8,11,14-15H,4-5,9-10H2,1-3H3
InChIKeyNFIIGWBWURGPAF-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-ethylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105171233
N-ethyl-1-(3-ethylphenyl)-3-(2-methylphenyl)propan-1-amine
CID 105171234
N-ethyl-1-(3-propylphenyl)-2-propylsulfanylethanamine
CID 116544428
N-ethyl-1-(3-ethylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 105018534
N-ethyl-1-(furan-3-yl)-3-methylsulfanylpropan-1-amine
CID 105146707
4-ethoxy-1-(3-ethylphenyl)-N-propylbutan-1-amine
CID 105171242
[1-(3-ethylphenyl)-2-propylsulfanylethyl]hydrazine
CID 105225597
N-ethyl-1-(3-methylphenyl)butan-1-amine
CID 60818713
1-(3-bromophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 54919438
N-ethyl-1-(3-methylphenyl)-4-methylsulfanylbutan-2-amine
CID 105091227
N-ethyl-1-(3-methylphenyl)-4-phenylbutan-1-amine
CID 63413344
N-[(2,6-dichlorophenyl)-(3-ethylphenyl)methyl]ethanamine
CID 105018508

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-ethylphenyl)-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-ethyl-1-(3-ethylphenyl)-3-methylsulfanylpropan-1-amine (CID 105171168) is N-ethyl-1-(3-ethylphenyl)-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-ethylphenyl)-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(3-ethylphenyl)-3-methylsulfanylpropan-1-amine is CCNC(CCSC)c1cccc(CC)c1.
What is the InChIKey of N-ethyl-1-(3-ethylphenyl)-3-methylsulfanylpropan-1-amine?
The InChIKey is NFIIGWBWURGPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-4-12-7-6-8-13(11-12)14(15-5-2)9-10-16-3/h6-8,11,14-15H,4-5,9-10H2,1-3H3.
What are the key properties of N-ethyl-1-(3-ethylphenyl)-3-methylsulfanylpropan-1-amine?
N-ethyl-1-(3-ethylphenyl)-3-methylsulfanylpropan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-ethylphenyl)-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 105171168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).