N-ethyl-1-(3-propylphenyl)-2-propylsulfanylethanamine

C16H27NS — CID 116544428

IUPACN-ethyl-1-(3-propylphenyl)-2-propylsulfanylethanamine
SMILESCCCSCC(NCC)c1cccc(CCC)c1
InChIInChI=1S/C16H27NS/c1-4-8-14-9-7-10-15(12-14)16(17-6-3)13-18-11-5-2/h7,9-10,12,16-17H,4-6,8,11,13H2,1-3H3
InChIKeyGZFCFPOABRZUTO-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.43
Rot. Bonds9

About N-ethyl-1-(3-propylphenyl)-2-propylsulfanylethanamine

N-ethyl-1-(3-propylphenyl)-2-propylsulfanylethanamine (PubChem CID 116544428) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is N-ethyl-1-(3-propylphenyl)-2-propylsulfanylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-propylphenyl)-2-propylsulfanylethanamine
PubChem CID116544428
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC NameN-ethyl-1-(3-propylphenyl)-2-propylsulfanylethanamine
SMILESCCCSCC(NCC)c1cccc(CCC)c1
InChIInChI=1S/C16H27NS/c1-4-8-14-9-7-10-15(12-14)16(17-6-3)13-18-11-5-2/h7,9-10,12,16-17H,4-6,8,11,13H2,1-3H3
InChIKeyGZFCFPOABRZUTO-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-(3-ethylphenyl)-2-propylsulfanylethyl]hydrazine
CID 105225597
2-cyclopentylsulfanyl-N-ethyl-1-(3-propylphenyl)ethanamine
CID 116544464
N-ethyl-2-propan-2-yloxy-1-(3-propylphenyl)ethanamine
CID 105188000
N-ethyl-1-(4-phenylphenyl)-2-propylsulfanylethanamine
CID 64614907
N-ethyl-1-(4-fluorophenyl)-2-propylsulfanylethanamine
CID 65128632
N-ethyl-1-(3-ethylphenyl)-3-methylsulfanylpropan-1-amine
CID 105171168
N-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine
CID 64625668
N-ethyl-1-(3-propylphenyl)-2-(thian-4-yl)ethanamine
CID 105188025
N-ethyl-2-(2-methylpropylsulfanyl)-1-(4-propylphenyl)ethanamine
CID 64611527
N-[1-(3-cyclobutylphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 114603243
N-ethyl-2-(3-methylbutylsulfanyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 107764275
2-butylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 64611504

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-propylphenyl)-2-propylsulfanylethanamine?
The IUPAC name of N-ethyl-1-(3-propylphenyl)-2-propylsulfanylethanamine (CID 116544428) is N-ethyl-1-(3-propylphenyl)-2-propylsulfanylethanamine.
What is the SMILES notation for N-ethyl-1-(3-propylphenyl)-2-propylsulfanylethanamine?
The canonical SMILES for N-ethyl-1-(3-propylphenyl)-2-propylsulfanylethanamine is CCCSCC(NCC)c1cccc(CCC)c1.
What is the InChIKey of N-ethyl-1-(3-propylphenyl)-2-propylsulfanylethanamine?
The InChIKey is GZFCFPOABRZUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-4-8-14-9-7-10-15(12-14)16(17-6-3)13-18-11-5-2/h7,9-10,12,16-17H,4-6,8,11,13H2,1-3H3.
What are the key properties of N-ethyl-1-(3-propylphenyl)-2-propylsulfanylethanamine?
N-ethyl-1-(3-propylphenyl)-2-propylsulfanylethanamine has a molecular weight of 265.47 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-propylphenyl)-2-propylsulfanylethanamine is sourced from PubChem (CID 116544428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).