2-(4-ethoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine

C17H23NOS — CID 83974291

IUPAC2-(4-ethoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine
SMILESCCOc1ccc(C(CN)Cc2sccc2C)c(C)c1
InChIInChI=1S/C17H23NOS/c1-4-19-15-5-6-16(13(3)9-15)14(11-18)10-17-12(2)7-8-20-17/h5-9,14H,4,10-11,18H2,1-3H3
InChIKeyYDWHSFPQYFFEHK-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.05
Rot. Bonds6

About 2-(4-ethoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine

2-(4-ethoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine (PubChem CID 83974291) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 2-(4-ethoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(4-ethoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine
PubChem CID83974291
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name2-(4-ethoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine
SMILESCCOc1ccc(C(CN)Cc2sccc2C)c(C)c1
InChIInChI=1S/C17H23NOS/c1-4-19-15-5-6-16(13(3)9-15)14(11-18)10-17-12(2)7-8-20-17/h5-9,14H,4,10-11,18H2,1-3H3
InChIKeyYDWHSFPQYFFEHK-UHFFFAOYSA-N
XLogP4.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-ethoxyphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine
CID 83973518
3-(3-methylthiophen-2-yl)-2-(3-propoxyphenyl)propan-1-amine
CID 83973382
2-(4-ethoxy-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83974319
2-(4-ethoxy-2-methylphenyl)-3-(1-methylindol-3-yl)propan-1-amine
CID 83974313
3-(3-methylthiophen-2-yl)-2-(3-phenoxyphenyl)propan-1-amine
CID 83973441
2-(3,4-difluorophenyl)-3-(3-methylthiophen-2-yl)propan-1-amine
CID 83973702
2-(4-ethoxy-2-methylphenyl)-2-(2-methylcyclohexyl)ethanamine
CID 83974256
3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine
CID 83972953
3-(4-butoxyphenyl)-2-(4-methoxy-2-methylphenyl)propan-1-amine
CID 83974227
2-(2,4-diethoxyphenyl)-3-(3,5-dimethylphenyl)propan-1-amine
CID 83973201
2-[2-(2-methyl-4-propoxyphenyl)butyl]propane-1,3-diamine
CID 83936840
1-(4-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 113221923

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine?
The IUPAC name of 2-(4-ethoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine (CID 83974291) is 2-(4-ethoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine.
What is the SMILES notation for 2-(4-ethoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine?
The canonical SMILES for 2-(4-ethoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine is CCOc1ccc(C(CN)Cc2sccc2C)c(C)c1.
What is the InChIKey of 2-(4-ethoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine?
The InChIKey is YDWHSFPQYFFEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-4-19-15-5-6-16(13(3)9-15)14(11-18)10-17-12(2)7-8-20-17/h5-9,14H,4,10-11,18H2,1-3H3.
What are the key properties of 2-(4-ethoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine?
2-(4-ethoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine has a molecular weight of 289.44 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine is sourced from PubChem (CID 83974291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).