N-[1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)ethyl]propan-1-amine

C16H27NOS — CID 64614295

IUPACN-[1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)ethyl]propan-1-amine
SMILESCCCNC(CSCCOC)c1ccc(CC)cc1
InChIInChI=1S/C16H27NOS/c1-4-10-17-16(13-19-12-11-18-3)15-8-6-14(5-2)7-9-15/h6-9,16-17H,4-5,10-13H2,1-3H3
InChIKeyBZQCUOGCQSLRST-UHFFFAOYSA-N
MW281.46 g/mol
LogP3.67
Rot. Bonds10

About N-[1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)ethyl]propan-1-amine

N-[1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)ethyl]propan-1-amine (PubChem CID 64614295) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)ethyl]propan-1-amine
PubChem CID64614295
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC NameN-[1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)ethyl]propan-1-amine
SMILESCCCNC(CSCCOC)c1ccc(CC)cc1
InChIInChI=1S/C16H27NOS/c1-4-10-17-16(13-19-12-11-18-3)15-8-6-14(5-2)7-9-15/h6-9,16-17H,4-5,10-13H2,1-3H3
InChIKeyBZQCUOGCQSLRST-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethylsulfanyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 64610335
N-[1-(4-ethoxyphenyl)-2-(2-methoxyethylsulfanyl)ethyl]propan-1-amine
CID 64613678
1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)-N-methylethanamine
CID 64613258
N-[1-(4-methylphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 64614922
N-[1-(4-ethoxyphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 64615746
N-[2-(2-methoxyethylsulfanyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 64614717
N-[1-(4-methoxyphenyl)-2-(3-methylbutylsulfanyl)ethyl]propan-1-amine
CID 107764019
2-(2-methoxyethylsulfanyl)-N-methyl-1-(4-propoxyphenyl)ethanamine
CID 64613252
1-(4-ethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 43496585
N-ethyl-1-(4-ethylphenyl)-3-methoxypropan-1-amine
CID 62542901
1-(4-ethylphenyl)-N-methyl-2-pentylsulfanylethanamine
CID 107763142
N-[1-(4-chlorophenyl)-2-ethylsulfanylethyl]propan-1-amine
CID 65127726

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)ethyl]propan-1-amine (CID 64614295) is N-[1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)ethyl]propan-1-amine is CCCNC(CSCCOC)c1ccc(CC)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)ethyl]propan-1-amine?
The InChIKey is BZQCUOGCQSLRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-4-10-17-16(13-19-12-11-18-3)15-8-6-14(5-2)7-9-15/h6-9,16-17H,4-5,10-13H2,1-3H3.
What are the key properties of N-[1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)ethyl]propan-1-amine?
N-[1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)ethyl]propan-1-amine has a molecular weight of 281.46 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)ethyl]propan-1-amine is sourced from PubChem (CID 64614295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).