1-(2-ethoxy-4-methylphenyl)propan-2-amine

C12H19NO — CID 55254147

IUPAC1-(2-ethoxy-4-methylphenyl)propan-2-amine
SMILESCCOc1cc(C)ccc1CC(C)N
InChIInChI=1S/C12H19NO/c1-4-14-12-7-9(2)5-6-11(12)8-10(3)13/h5-7,10H,4,8,13H2,1-3H3
InChIKeyBWNHNCGHQZSITD-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.28
Rot. Bonds4

About 1-(2-ethoxy-4-methylphenyl)propan-2-amine

1-(2-ethoxy-4-methylphenyl)propan-2-amine (PubChem CID 55254147) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(2-ethoxy-4-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-ethoxy-4-methylphenyl)propan-2-amine
PubChem CID55254147
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(2-ethoxy-4-methylphenyl)propan-2-amine
SMILESCCOc1cc(C)ccc1CC(C)N
InChIInChI=1S/C12H19NO/c1-4-14-12-7-9(2)5-6-11(12)8-10(3)13/h5-7,10H,4,8,13H2,1-3H3
InChIKeyBWNHNCGHQZSITD-UHFFFAOYSA-N
XLogP2.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-4-methyl-1-(2-methylpropyl)benzene
CID 118359593
2-(2-ethoxy-4-methylphenyl)acetamide
CID 146656384
4-amino-N-[(2-ethoxy-4-methylphenyl)methyl]pentanamide
CID 120563690
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
1-[5-methyl-2-(3-methylbutoxy)phenyl]propan-2-amine
CID 55200535
1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144
ethyl 2-[2-(2-aminopropyl)-4-methylphenoxy]acetate
CID 63326114
1-(2-ethoxy-4-morpholin-4-ylphenyl)propan-2-amine
CID 170864869
1-[2-(methoxymethoxy)-5-methylphenyl]propan-2-amine
CID 65364966
2-[1-(2-ethoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine
CID 83933623
(2S)-1-(2-bromo-4-methylphenyl)propan-2-amine
CID 131058214
1-[4-chloro-2-(2-ethoxyphenoxy)phenyl]propan-2-amine
CID 114862777

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-4-methylphenyl)propan-2-amine?
The IUPAC name of 1-(2-ethoxy-4-methylphenyl)propan-2-amine (CID 55254147) is 1-(2-ethoxy-4-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-ethoxy-4-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(2-ethoxy-4-methylphenyl)propan-2-amine is CCOc1cc(C)ccc1CC(C)N.
What is the InChIKey of 1-(2-ethoxy-4-methylphenyl)propan-2-amine?
The InChIKey is BWNHNCGHQZSITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-14-12-7-9(2)5-6-11(12)8-10(3)13/h5-7,10H,4,8,13H2,1-3H3.
What are the key properties of 1-(2-ethoxy-4-methylphenyl)propan-2-amine?
1-(2-ethoxy-4-methylphenyl)propan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-4-methylphenyl)propan-2-amine is sourced from PubChem (CID 55254147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).