1-[3-(2-ethylphenoxy)-4-methylphenyl]propan-2-amine

C18H23NO — CID 105411150

IUPAC1-[3-(2-ethylphenoxy)-4-methylphenyl]propan-2-amine
SMILESCCc1ccccc1Oc1cc(CC(C)N)ccc1C
InChIInChI=1S/C18H23NO/c1-4-16-7-5-6-8-17(16)20-18-12-15(11-14(3)19)10-9-13(18)2/h5-10,12,14H,4,11,19H2,1-3H3
InChIKeyRMNHJMVTHYYTHL-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.24
Rot. Bonds5

About 1-[3-(2-ethylphenoxy)-4-methylphenyl]propan-2-amine

1-[3-(2-ethylphenoxy)-4-methylphenyl]propan-2-amine (PubChem CID 105411150) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[3-(2-ethylphenoxy)-4-methylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(2-ethylphenoxy)-4-methylphenyl]propan-2-amine
PubChem CID105411150
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-[3-(2-ethylphenoxy)-4-methylphenyl]propan-2-amine
SMILESCCc1ccccc1Oc1cc(CC(C)N)ccc1C
InChIInChI=1S/C18H23NO/c1-4-16-7-5-6-8-17(16)20-18-12-15(11-14(3)19)10-9-13(18)2/h5-10,12,14H,4,11,19H2,1-3H3
InChIKeyRMNHJMVTHYYTHL-UHFFFAOYSA-N
XLogP4.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-iodophenoxy)-4-methylphenyl]propan-2-amine
CID 105411164
1-[4-methyl-3-(2-methylphenoxy)phenyl]butan-2-amine
CID 105411019
1-[4-(2-ethylphenoxy)-3,5-difluorophenyl]propan-2-amine
CID 63802310
1-[2-(2,3-dimethylphenoxy)phenyl]propan-2-amine
CID 63817683
1-[4-methyl-3-(2-methylsulfanylphenoxy)phenyl]butan-2-amine
CID 105411210
1-[3-chloro-4-(2-ethylphenoxy)phenyl]butan-2-amine
CID 81160068
1-[4-(2-methylphenoxy)phenyl]propan-2-amine
CID 63803790
(2R)-1-(3,4-diethylphenyl)propan-2-amine
CID 139743643
[4-(2-ethylphenoxy)-3-methylphenyl]methanol
CID 62125436
1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]propan-2-amine
CID 107661710
1-[2-(4-bromo-2-methylphenoxy)phenyl]propan-2-amine
CID 63801992
1-[4-(4-ethylphenoxy)-3-methylphenyl]propan-2-amine
CID 63817540

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethylphenoxy)-4-methylphenyl]propan-2-amine?
The IUPAC name of 1-[3-(2-ethylphenoxy)-4-methylphenyl]propan-2-amine (CID 105411150) is 1-[3-(2-ethylphenoxy)-4-methylphenyl]propan-2-amine.
What is the SMILES notation for 1-[3-(2-ethylphenoxy)-4-methylphenyl]propan-2-amine?
The canonical SMILES for 1-[3-(2-ethylphenoxy)-4-methylphenyl]propan-2-amine is CCc1ccccc1Oc1cc(CC(C)N)ccc1C.
What is the InChIKey of 1-[3-(2-ethylphenoxy)-4-methylphenyl]propan-2-amine?
The InChIKey is RMNHJMVTHYYTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-16-7-5-6-8-17(16)20-18-12-15(11-14(3)19)10-9-13(18)2/h5-10,12,14H,4,11,19H2,1-3H3.
What are the key properties of 1-[3-(2-ethylphenoxy)-4-methylphenyl]propan-2-amine?
1-[3-(2-ethylphenoxy)-4-methylphenyl]propan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethylphenoxy)-4-methylphenyl]propan-2-amine is sourced from PubChem (CID 105411150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).