N-[1-(2-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine

C16H27NOS — CID 64633258

IUPACN-[1-(2-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSC(C)C)c1ccccc1OCC
InChIInChI=1S/C16H27NOS/c1-5-11-17-15(12-19-13(3)4)14-9-7-8-10-16(14)18-6-2/h7-10,13,15,17H,5-6,11-12H2,1-4H3
InChIKeyICMCXARMFJVJMV-UHFFFAOYSA-N
MW281.47 g/mol
LogP4.27
Rot. Bonds9

About N-[1-(2-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine

N-[1-(2-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine (PubChem CID 64633258) has the molecular formula C16H27NOS and a molecular weight of 281.47 g/mol. Its IUPAC name is N-[1-(2-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine
PubChem CID64633258
Molecular FormulaC16H27NOS
Molecular Weight281.47 g/mol
Exact Mass281.18
IUPAC NameN-[1-(2-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSC(C)C)c1ccccc1OCC
InChIInChI=1S/C16H27NOS/c1-5-11-17-15(12-19-13(3)4)14-9-7-8-10-16(14)18-6-2/h7-10,13,15,17H,5-6,11-12H2,1-4H3
InChIKeyICMCXARMFJVJMV-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 64632455
1-(2-ethoxyphenyl)-N-propylpentan-1-amine
CID 79411524
N-[1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine
CID 107763360
2-(2-ethoxyphenyl)-N-propylhexan-3-amine
CID 83050810
1-(2-ethoxyphenyl)-3-ethyl-N-propylpentan-1-amine
CID 82923027
N-methyl-2-propan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanamine
CID 104660213
N-[1-(2,6-dimethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 116810465
2-butylsulfanyl-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 64612320
1-(2-ethoxyphenyl)-4-methoxy-N-propylbutan-1-amine
CID 65091772
N-[1-(2-ethoxyphenyl)-2-ethylsulfinylethyl]propan-1-amine
CID 64652330
3-methyl-1-(2-propoxyphenyl)-N-propylbutan-1-amine
CID 104659884
N-[1-(2-methoxyphenyl)-2-pentylsulfanylethyl]propan-1-amine
CID 107763020

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine?
The IUPAC name of N-[1-(2-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine (CID 64633258) is N-[1-(2-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine is CCCNC(CSC(C)C)c1ccccc1OCC.
What is the InChIKey of N-[1-(2-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine?
The InChIKey is ICMCXARMFJVJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-5-11-17-15(12-19-13(3)4)14-9-7-8-10-16(14)18-6-2/h7-10,13,15,17H,5-6,11-12H2,1-4H3.
What are the key properties of N-[1-(2-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine?
N-[1-(2-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine has a molecular weight of 281.47 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine is sourced from PubChem (CID 64633258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).