N-ethyl-1-(4-methoxyphenyl)-2-propylsulfanylpropan-1-amine

C15H25NOS — CID 64614912

IUPACN-ethyl-1-(4-methoxyphenyl)-2-propylsulfanylpropan-1-amine
SMILESCCCSC(C)C(NCC)c1ccc(OC)cc1
InChIInChI=1S/C15H25NOS/c1-5-11-18-12(3)15(16-6-2)13-7-9-14(17-4)10-8-13/h7-10,12,15-16H,5-6,11H2,1-4H3
InChIKeyBDICWFFUQSAADS-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.88
Rot. Bonds8

About N-ethyl-1-(4-methoxyphenyl)-2-propylsulfanylpropan-1-amine

N-ethyl-1-(4-methoxyphenyl)-2-propylsulfanylpropan-1-amine (PubChem CID 64614912) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N-ethyl-1-(4-methoxyphenyl)-2-propylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methoxyphenyl)-2-propylsulfanylpropan-1-amine
PubChem CID64614912
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN-ethyl-1-(4-methoxyphenyl)-2-propylsulfanylpropan-1-amine
SMILESCCCSC(C)C(NCC)c1ccc(OC)cc1
InChIInChI=1S/C15H25NOS/c1-5-11-18-12(3)15(16-6-2)13-7-9-14(17-4)10-8-13/h7-10,12,15-16H,5-6,11H2,1-4H3
InChIKeyBDICWFFUQSAADS-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(4-methoxyphenyl)-2-propylpentan-1-amine
CID 82985129
1-(4-methoxyphenyl)-N-methyl-2-(3-methylbutylsulfanyl)propan-1-amine
CID 107763976
1-(4-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)-N-propylpropan-1-amine
CID 107763220
3-[1-(4-methoxyphenyl)-1-(propylamino)propan-2-yl]sulfanylpropane-1,2-diol
CID 79672101
2-ethoxy-N-ethyl-1-(4-methoxyphenyl)-3-methylbutan-1-amine
CID 116721317
1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine
CID 64626669
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018
N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43489198
N-ethyl-1-(4-methoxyphenyl)-2-(3-methoxypropylsulfinyl)propan-1-amine
CID 64657838
N,N'-dihexyl-1,2-bis(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 45262997
1-(4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43494981
N-ethyl-2-ethylsulfanyl-1-phenylpropan-1-amine
CID 64612976

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methoxyphenyl)-2-propylsulfanylpropan-1-amine?
The IUPAC name of N-ethyl-1-(4-methoxyphenyl)-2-propylsulfanylpropan-1-amine (CID 64614912) is N-ethyl-1-(4-methoxyphenyl)-2-propylsulfanylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-methoxyphenyl)-2-propylsulfanylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(4-methoxyphenyl)-2-propylsulfanylpropan-1-amine is CCCSC(C)C(NCC)c1ccc(OC)cc1.
What is the InChIKey of N-ethyl-1-(4-methoxyphenyl)-2-propylsulfanylpropan-1-amine?
The InChIKey is BDICWFFUQSAADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-5-11-18-12(3)15(16-6-2)13-7-9-14(17-4)10-8-13/h7-10,12,15-16H,5-6,11H2,1-4H3.
What are the key properties of N-ethyl-1-(4-methoxyphenyl)-2-propylsulfanylpropan-1-amine?
N-ethyl-1-(4-methoxyphenyl)-2-propylsulfanylpropan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methoxyphenyl)-2-propylsulfanylpropan-1-amine is sourced from PubChem (CID 64614912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).