N-ethyl-1-(2-methoxy-5-methylphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine

C17H29NOS — CID 65135698

IUPACN-ethyl-1-(2-methoxy-5-methylphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
SMILESCCNC(CSCC(C)C)Cc1cc(C)ccc1OC
InChIInChI=1S/C17H29NOS/c1-6-18-16(12-20-11-13(2)3)10-15-9-14(4)7-8-17(15)19-5/h7-9,13,16,18H,6,10-12H2,1-5H3
InChIKeyRIJOBYKIQRLBES-UHFFFAOYSA-N
MW295.49 g/mol
LogP3.91
Rot. Bonds9

About N-ethyl-1-(2-methoxy-5-methylphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine

N-ethyl-1-(2-methoxy-5-methylphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine (PubChem CID 65135698) has the molecular formula C17H29NOS and a molecular weight of 295.49 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxy-5-methylphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxy-5-methylphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
PubChem CID65135698
Molecular FormulaC17H29NOS
Molecular Weight295.49 g/mol
Exact Mass295.20
IUPAC NameN-ethyl-1-(2-methoxy-5-methylphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
SMILESCCNC(CSCC(C)C)Cc1cc(C)ccc1OC
InChIInChI=1S/C17H29NOS/c1-6-18-16(12-20-11-13(2)3)10-15-9-14(4)7-8-17(15)19-5/h7-9,13,16,18H,6,10-12H2,1-5H3
InChIKeyRIJOBYKIQRLBES-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135466
1-(2-methoxy-5-methylphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62693208
[1-ethylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-yl]hydrazine
CID 105225439
N-ethyl-1-(2-methoxy-5-methylphenyl)-3-phenylpropan-2-amine
CID 62160348
1-(cyclohexen-1-yl)-N-ethyl-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 116661892
N-ethyl-1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-amine
CID 62501355
1-(2,5-difluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135476
N-ethyl-3-methoxy-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-amine
CID 116720374
3-ethoxy-N-ethyl-1-(2-methoxy-5-methylphenyl)butan-2-amine
CID 64532794
1-(2,5-dimethylphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135800
N-ethyl-2-(2-methoxy-5-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 115826696
1-(2-methoxy-5-methylphenyl)-N-propan-2-ylhexan-2-amine
CID 79412348

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxy-5-methylphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine?
The IUPAC name of N-ethyl-1-(2-methoxy-5-methylphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine (CID 65135698) is N-ethyl-1-(2-methoxy-5-methylphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-methoxy-5-methylphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine?
The canonical SMILES for N-ethyl-1-(2-methoxy-5-methylphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine is CCNC(CSCC(C)C)Cc1cc(C)ccc1OC.
What is the InChIKey of N-ethyl-1-(2-methoxy-5-methylphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine?
The InChIKey is RIJOBYKIQRLBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NOS/c1-6-18-16(12-20-11-13(2)3)10-15-9-14(4)7-8-17(15)19-5/h7-9,13,16,18H,6,10-12H2,1-5H3.
What are the key properties of N-ethyl-1-(2-methoxy-5-methylphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine?
N-ethyl-1-(2-methoxy-5-methylphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine has a molecular weight of 295.49 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methoxy-5-methylphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine is sourced from PubChem (CID 65135698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).