N-ethyl-4-(4-methoxyphenyl)-1-propan-2-ylsulfanylbutan-2-amine

C16H27NOS — CID 65445532

IUPACN-ethyl-4-(4-methoxyphenyl)-1-propan-2-ylsulfanylbutan-2-amine
SMILESCCNC(CCc1ccc(OC)cc1)CSC(C)C
InChIInChI=1S/C16H27NOS/c1-5-17-15(12-19-13(2)3)9-6-14-7-10-16(18-4)11-8-14/h7-8,10-11,13,15,17H,5-6,9,12H2,1-4H3
InChIKeyGKAYIRGZENKPGD-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.75
Rot. Bonds9

About N-ethyl-4-(4-methoxyphenyl)-1-propan-2-ylsulfanylbutan-2-amine

N-ethyl-4-(4-methoxyphenyl)-1-propan-2-ylsulfanylbutan-2-amine (PubChem CID 65445532) has the molecular formula C16H27NOS and a molecular weight of 281.47 g/mol. Its IUPAC name is N-ethyl-4-(4-methoxyphenyl)-1-propan-2-ylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-methoxyphenyl)-1-propan-2-ylsulfanylbutan-2-amine
PubChem CID65445532
Molecular FormulaC16H27NOS
Molecular Weight281.47 g/mol
Exact Mass281.18
IUPAC NameN-ethyl-4-(4-methoxyphenyl)-1-propan-2-ylsulfanylbutan-2-amine
SMILESCCNC(CCc1ccc(OC)cc1)CSC(C)C
InChIInChI=1S/C16H27NOS/c1-5-17-15(12-19-13(2)3)9-6-14-7-10-16(18-4)11-8-14/h7-8,10-11,13,15,17H,5-6,9,12H2,1-4H3
InChIKeyGKAYIRGZENKPGD-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethoxy-N-ethyl-5-(4-methoxyphenyl)pentan-3-amine
CID 105152339
N-ethyl-4-(4-methoxyphenyl)-1-propoxybutan-2-amine
CID 65445145
4-(4-methoxyphenyl)-1-(2-methylpropylsulfanyl)-N-propylbutan-2-amine
CID 65446675
N-ethyl-1-(4-methoxyphenyl)-5-methylhexan-2-amine
CID 61066425
1-(4-methoxyphenyl)pentan-3-ylhydrazine
CID 105200937
N-ethyl-4-(4-methoxyphenyl)-1-(2-methyltetrazol-5-yl)butan-2-amine
CID 107065191
N-ethyl-5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine
CID 105005455
1-(4-methoxyphenyl)-5-methyl-N-propyloctan-3-amine
CID 115845424
N-ethyl-1-propan-2-ylsulfanyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 65131725
6-(4-methoxyphenyl)-N,4-dimethylhexan-3-amine
CID 79308478
[1-(4-methoxyphenyl)-5-methylheptan-3-yl]hydrazine
CID 105298442
4-methoxy-1-(4-methoxyphenyl)-N-propylpentan-3-amine
CID 79615993

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-methoxyphenyl)-1-propan-2-ylsulfanylbutan-2-amine?
The IUPAC name of N-ethyl-4-(4-methoxyphenyl)-1-propan-2-ylsulfanylbutan-2-amine (CID 65445532) is N-ethyl-4-(4-methoxyphenyl)-1-propan-2-ylsulfanylbutan-2-amine.
What is the SMILES notation for N-ethyl-4-(4-methoxyphenyl)-1-propan-2-ylsulfanylbutan-2-amine?
The canonical SMILES for N-ethyl-4-(4-methoxyphenyl)-1-propan-2-ylsulfanylbutan-2-amine is CCNC(CCc1ccc(OC)cc1)CSC(C)C.
What is the InChIKey of N-ethyl-4-(4-methoxyphenyl)-1-propan-2-ylsulfanylbutan-2-amine?
The InChIKey is GKAYIRGZENKPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-5-17-15(12-19-13(2)3)9-6-14-7-10-16(18-4)11-8-14/h7-8,10-11,13,15,17H,5-6,9,12H2,1-4H3.
What are the key properties of N-ethyl-4-(4-methoxyphenyl)-1-propan-2-ylsulfanylbutan-2-amine?
N-ethyl-4-(4-methoxyphenyl)-1-propan-2-ylsulfanylbutan-2-amine has a molecular weight of 281.47 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-methoxyphenyl)-1-propan-2-ylsulfanylbutan-2-amine is sourced from PubChem (CID 65445532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).