1-[3-methyl-4-(2-propoxyethoxy)phenyl]ethanamine

C14H23NO2 — CID 106450674

IUPAC1-[3-methyl-4-(2-propoxyethoxy)phenyl]ethanamine
SMILESCCCOCCOc1ccc(C(C)N)cc1C
InChIInChI=1S/C14H23NO2/c1-4-7-16-8-9-17-14-6-5-13(12(3)15)10-11(14)2/h5-6,10,12H,4,7-9,15H2,1-3H3
InChIKeyRLGBYIFVHYOPNX-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.82
Rot. Bonds7

About 1-[3-methyl-4-(2-propoxyethoxy)phenyl]ethanamine

1-[3-methyl-4-(2-propoxyethoxy)phenyl]ethanamine (PubChem CID 106450674) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-[3-methyl-4-(2-propoxyethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-methyl-4-(2-propoxyethoxy)phenyl]ethanamine
PubChem CID106450674
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-[3-methyl-4-(2-propoxyethoxy)phenyl]ethanamine
SMILESCCCOCCOc1ccc(C(C)N)cc1C
InChIInChI=1S/C14H23NO2/c1-4-7-16-8-9-17-14-6-5-13(12(3)15)10-11(14)2/h5-6,10,12H,4,7-9,15H2,1-3H3
InChIKeyRLGBYIFVHYOPNX-UHFFFAOYSA-N
XLogP2.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
1-[4-(4-methoxybutoxy)-3-methylphenyl]ethanamine
CID 113436823
1-[3-methyl-4-(2-methylpentoxy)phenyl]ethanamine
CID 113386781
(1S)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanamine
CID 89490025
(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanamine
CID 106450340
(1R)-1-[3-bromo-4-(2-ethoxyethoxy)phenyl]ethanamine
CID 78937706
(1R)-1-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104561031
1-[4-(2-tert-butylsulfonylethoxy)-3-methylphenyl]ethanamine
CID 106722489
(1R)-1-[2-(2-propoxyethoxy)phenyl]ethanamine
CID 78948142
1-[4-[(2,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine
CID 82092954
1-[3-methoxy-4-(2-propoxyethoxy)phenyl]ethanol
CID 106453708
(1R)-1-[4-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methylphenyl]ethanamine
CID 106437118

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-(2-propoxyethoxy)phenyl]ethanamine?
The IUPAC name of 1-[3-methyl-4-(2-propoxyethoxy)phenyl]ethanamine (CID 106450674) is 1-[3-methyl-4-(2-propoxyethoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[3-methyl-4-(2-propoxyethoxy)phenyl]ethanamine?
The canonical SMILES for 1-[3-methyl-4-(2-propoxyethoxy)phenyl]ethanamine is CCCOCCOc1ccc(C(C)N)cc1C.
What is the InChIKey of 1-[3-methyl-4-(2-propoxyethoxy)phenyl]ethanamine?
The InChIKey is RLGBYIFVHYOPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-7-16-8-9-17-14-6-5-13(12(3)15)10-11(14)2/h5-6,10,12H,4,7-9,15H2,1-3H3.
What are the key properties of 1-[3-methyl-4-(2-propoxyethoxy)phenyl]ethanamine?
1-[3-methyl-4-(2-propoxyethoxy)phenyl]ethanamine has a molecular weight of 237.34 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-(2-propoxyethoxy)phenyl]ethanamine is sourced from PubChem (CID 106450674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).