3-ethoxy-1-(4-methylphenyl)propan-1-amine

C12H19NO — CID 115601658

IUPAC3-ethoxy-1-(4-methylphenyl)propan-1-amine
SMILESCCOCCC(N)c1ccc(C)cc1
InChIInChI=1S/C12H19NO/c1-3-14-9-8-12(13)11-6-4-10(2)5-7-11/h4-7,12H,3,8-9,13H2,1-2H3
InChIKeyZHDXJQMXCHAZII-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.42
Rot. Bonds5

About 3-ethoxy-1-(4-methylphenyl)propan-1-amine

3-ethoxy-1-(4-methylphenyl)propan-1-amine (PubChem CID 115601658) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-ethoxy-1-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-1-(4-methylphenyl)propan-1-amine
PubChem CID115601658
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-ethoxy-1-(4-methylphenyl)propan-1-amine
SMILESCCOCCC(N)c1ccc(C)cc1
InChIInChI=1S/C12H19NO/c1-3-14-9-8-12(13)11-6-4-10(2)5-7-11/h4-7,12H,3,8-9,13H2,1-2H3
InChIKeyZHDXJQMXCHAZII-UHFFFAOYSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(4-methylphenyl)propan-1-amine
CID 7028357
ethane;1-(4-methylphenyl)propan-1-amine
CID 142982263
1-(4-cyclobutylphenyl)-3-ethoxypropan-1-amine
CID 105185330
(1R)-N'-ethoxy-1-(4-methylphenyl)ethane-1,2-diamine
CID 163787468
4-ethoxy-1-(4-methoxyphenyl)butan-1-amine
CID 105095438
3-ethoxy-1-naphthalen-2-ylpropan-1-amine
CID 112688301
N',N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62619570
1-(4-ethoxyphenyl)-3-(4-methylphenyl)propan-1-amine
CID 105140871
4-ethoxy-1-(3-fluoro-4-methylphenyl)butan-1-amine
CID 107130391
1-(4-methylphenyl)-3-methylsulfanylpropan-1-amine
CID 105092577
3-ethoxy-1-(1-ethylpyrazol-4-yl)propan-1-amine
CID 105109341
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)ethanamine
CID 104560552

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(4-methylphenyl)propan-1-amine?
The IUPAC name of 3-ethoxy-1-(4-methylphenyl)propan-1-amine (CID 115601658) is 3-ethoxy-1-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-ethoxy-1-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 3-ethoxy-1-(4-methylphenyl)propan-1-amine is CCOCCC(N)c1ccc(C)cc1.
What is the InChIKey of 3-ethoxy-1-(4-methylphenyl)propan-1-amine?
The InChIKey is ZHDXJQMXCHAZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-14-9-8-12(13)11-6-4-10(2)5-7-11/h4-7,12H,3,8-9,13H2,1-2H3.
What are the key properties of 3-ethoxy-1-(4-methylphenyl)propan-1-amine?
3-ethoxy-1-(4-methylphenyl)propan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 115601658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).