2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(ethylamino)propan-1-ol

C16H25NO2 — CID 64802024

IUPAC2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(ethylamino)propan-1-ol
SMILESCCNC(CO)(COc1ccc(C)cc1C)C1CC1
InChIInChI=1S/C16H25NO2/c1-4-17-16(10-18,14-6-7-14)11-19-15-8-5-12(2)9-13(15)3/h5,8-9,14,17-18H,4,6-7,10-11H2,1-3H3
InChIKeyPDURWANWJBXWJJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.43
Rot. Bonds7

About 2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(ethylamino)propan-1-ol

2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(ethylamino)propan-1-ol (PubChem CID 64802024) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(ethylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(ethylamino)propan-1-ol
PubChem CID64802024
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(ethylamino)propan-1-ol
SMILESCCNC(CO)(COc1ccc(C)cc1C)C1CC1
InChIInChI=1S/C16H25NO2/c1-4-17-16(10-18,14-6-7-14)11-19-15-8-5-12(2)9-13(15)3/h5,8-9,14,17-18H,4,6-7,10-11H2,1-3H3
InChIKeyPDURWANWJBXWJJ-UHFFFAOYSA-N
XLogP2.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-3-(2,4-dimethylphenoxy)-2-methylpropan-1-ol
CID 64803684
2-cyclopropyl-3-(5-fluoro-2-methylphenoxy)-2-(propylamino)propan-1-ol
CID 102988099
methyl 2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(methylamino)propanoate
CID 63921165
2-cyclopropyl-2-(methylamino)-3-(2,4,6-trimethylphenoxy)propan-1-ol
CID 64809544
1-(2,4-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 66336681
2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(propan-2-ylamino)propanamide
CID 63920376
2-cyclopropyl-3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol
CID 64791529
2-(2,4-dimethylphenoxy)-N-ethylacetamide
CID 965411
1-(2,2-difluoropropoxy)-2,4-dimethylbenzene
CID 121391034
3-butoxy-2-cyclopropyl-2-(ethylamino)propan-1-ol
CID 64807100
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propylamino)propan-1-ol
CID 64806267

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(ethylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(ethylamino)propan-1-ol (CID 64802024) is 2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(ethylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(ethylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(ethylamino)propan-1-ol is CCNC(CO)(COc1ccc(C)cc1C)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(ethylamino)propan-1-ol?
The InChIKey is PDURWANWJBXWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-17-16(10-18,14-6-7-14)11-19-15-8-5-12(2)9-13(15)3/h5,8-9,14,17-18H,4,6-7,10-11H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(ethylamino)propan-1-ol?
2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(ethylamino)propan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(ethylamino)propan-1-ol is sourced from PubChem (CID 64802024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).