1-(3-ethylphenoxy)-3-(2-methylpropylamino)propan-2-ol

C15H25NO2 — CID 60635464

IUPAC1-(3-ethylphenoxy)-3-(2-methylpropylamino)propan-2-ol
SMILESCCc1cccc(OCC(O)CNCC(C)C)c1
InChIInChI=1S/C15H25NO2/c1-4-13-6-5-7-15(8-13)18-11-14(17)10-16-9-12(2)3/h5-8,12,14,16-17H,4,9-11H2,1-3H3
InChIKeyMNTDZAVBUXFOAM-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.23
Rot. Bonds8

About 1-(3-ethylphenoxy)-3-(2-methylpropylamino)propan-2-ol

1-(3-ethylphenoxy)-3-(2-methylpropylamino)propan-2-ol (PubChem CID 60635464) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(3-ethylphenoxy)-3-(2-methylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-ethylphenoxy)-3-(2-methylpropylamino)propan-2-ol
PubChem CID60635464
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(3-ethylphenoxy)-3-(2-methylpropylamino)propan-2-ol
SMILESCCc1cccc(OCC(O)CNCC(C)C)c1
InChIInChI=1S/C15H25NO2/c1-4-13-6-5-7-15(8-13)18-11-14(17)10-16-9-12(2)3/h5-8,12,14,16-17H,4,9-11H2,1-3H3
InChIKeyMNTDZAVBUXFOAM-UHFFFAOYSA-N
XLogP2.23
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-ethylphenoxy)-3-(2-methylpropylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-ethylphenoxy)-3-(4-methylpentylamino)propan-2-ol
CID 60743860
(2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol
CID 2114693
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
1-methoxy-3-[3-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol
CID 63928987
1-(3-ethylphenoxy)-3-(heptan-2-ylamino)propan-2-ol
CID 60635591
1-(3-ethylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol
CID 83019115
1-(3-ethylphenoxy)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol
CID 106417544
1-(3-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol
CID 106895704
1-(3-ethylphenoxy)-3-(4-fluoroanilino)propan-2-ol
CID 60898710
1-(dicyclopropylmethylamino)-3-(3-ethylphenoxy)propan-2-ol
CID 60713290
1-[[(1S)-1-cyclopentylethyl]amino]-3-(3-ethylphenoxy)propan-2-ol
CID 81389982
1-(3-ethylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81391202

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenoxy)-3-(2-methylpropylamino)propan-2-ol?
The IUPAC name of 1-(3-ethylphenoxy)-3-(2-methylpropylamino)propan-2-ol (CID 60635464) is 1-(3-ethylphenoxy)-3-(2-methylpropylamino)propan-2-ol.
What is the SMILES notation for 1-(3-ethylphenoxy)-3-(2-methylpropylamino)propan-2-ol?
The canonical SMILES for 1-(3-ethylphenoxy)-3-(2-methylpropylamino)propan-2-ol is CCc1cccc(OCC(O)CNCC(C)C)c1.
What is the InChIKey of 1-(3-ethylphenoxy)-3-(2-methylpropylamino)propan-2-ol?
The InChIKey is MNTDZAVBUXFOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-13-6-5-7-15(8-13)18-11-14(17)10-16-9-12(2)3/h5-8,12,14,16-17H,4,9-11H2,1-3H3.
What are the key properties of 1-(3-ethylphenoxy)-3-(2-methylpropylamino)propan-2-ol?
1-(3-ethylphenoxy)-3-(2-methylpropylamino)propan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenoxy)-3-(2-methylpropylamino)propan-2-ol is sourced from PubChem (CID 60635464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).