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

C18H27NO2 — CID 60713290

IUPAC1-(dicyclopropylmethylamino)-3-(3-ethylphenoxy)propan-2-ol
SMILESCCc1cccc(OCC(O)CNC(C2CC2)C2CC2)c1
InChIInChI=1S/C18H27NO2/c1-2-13-4-3-5-17(10-13)21-12-16(20)11-19-18(14-6-7-14)15-8-9-15/h3-5,10,14-16,18-20H,2,6-9,11-12H2,1H3
InChIKeySPGDHJABOIMGEN-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.77
Rot. Bonds9

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

1-(dicyclopropylmethylamino)-3-(3-ethylphenoxy)propan-2-ol (PubChem CID 60713290) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(dicyclopropylmethylamino)-3-(3-ethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(dicyclopropylmethylamino)-3-(3-ethylphenoxy)propan-2-ol
PubChem CID60713290
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-(dicyclopropylmethylamino)-3-(3-ethylphenoxy)propan-2-ol
SMILESCCc1cccc(OCC(O)CNC(C2CC2)C2CC2)c1
InChIInChI=1S/C18H27NO2/c1-2-13-4-3-5-17(10-13)21-12-16(20)11-19-18(14-6-7-14)15-8-9-15/h3-5,10,14-16,18-20H,2,6-9,11-12H2,1H3
InChIKeySPGDHJABOIMGEN-UHFFFAOYSA-N
XLogP2.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(1S)-1-cyclopentylethyl]amino]-3-(3-ethylphenoxy)propan-2-ol
CID 81389982
1-(3-ethylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635464
1-(3,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol
CID 60713365
1-(3-ethylphenoxy)-3-(heptan-2-ylamino)propan-2-ol
CID 60635591
1-(3-ethylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81391202
1-(3-ethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol
CID 83020851
(2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol
CID 2114693
1-cyclopropyl-2-(3-ethylphenoxy)ethanamine
CID 63907502
1-(3-ethylphenoxy)-3-(thiolan-2-ylmethylamino)propan-2-ol
CID 80584604
1-(3-ethylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol
CID 83019115
1-(3-ethylphenoxy)-3-(4-fluoroanilino)propan-2-ol
CID 60898710
1-(3-bromoanilino)-3-(3-ethylphenoxy)propan-2-ol
CID 60898167

Frequently Asked Questions

What is the IUPAC name of 1-(dicyclopropylmethylamino)-3-(3-ethylphenoxy)propan-2-ol?
The IUPAC name of 1-(dicyclopropylmethylamino)-3-(3-ethylphenoxy)propan-2-ol (CID 60713290) is 1-(dicyclopropylmethylamino)-3-(3-ethylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(dicyclopropylmethylamino)-3-(3-ethylphenoxy)propan-2-ol?
The canonical SMILES for 1-(dicyclopropylmethylamino)-3-(3-ethylphenoxy)propan-2-ol is CCc1cccc(OCC(O)CNC(C2CC2)C2CC2)c1.
What is the InChIKey of 1-(dicyclopropylmethylamino)-3-(3-ethylphenoxy)propan-2-ol?
The InChIKey is SPGDHJABOIMGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-13-4-3-5-17(10-13)21-12-16(20)11-19-18(14-6-7-14)15-8-9-15/h3-5,10,14-16,18-20H,2,6-9,11-12H2,1H3.
What are the key properties of 1-(dicyclopropylmethylamino)-3-(3-ethylphenoxy)propan-2-ol?
1-(dicyclopropylmethylamino)-3-(3-ethylphenoxy)propan-2-ol has a molecular weight of 289.42 g/mol, XLogP of 2.77, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dicyclopropylmethylamino)-3-(3-ethylphenoxy)propan-2-ol is sourced from PubChem (CID 60713290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).