1-(1-cyclopropylethylamino)-3-(2,5-dimethylphenoxy)propan-2-ol

C16H25NO2 — CID 54938516

IUPAC1-(1-cyclopropylethylamino)-3-(2,5-dimethylphenoxy)propan-2-ol
SMILESCc1ccc(C)c(OCC(O)CNC(C)C2CC2)c1
InChIInChI=1S/C16H25NO2/c1-11-4-5-12(2)16(8-11)19-10-15(18)9-17-13(3)14-6-7-14/h4-5,8,13-15,17-18H,6-7,9-10H2,1-3H3
InChIKeyXWQQKNWLIUFTEL-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.43
Rot. Bonds7

About 1-(1-cyclopropylethylamino)-3-(2,5-dimethylphenoxy)propan-2-ol

1-(1-cyclopropylethylamino)-3-(2,5-dimethylphenoxy)propan-2-ol (PubChem CID 54938516) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(1-cyclopropylethylamino)-3-(2,5-dimethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(1-cyclopropylethylamino)-3-(2,5-dimethylphenoxy)propan-2-ol
PubChem CID54938516
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(1-cyclopropylethylamino)-3-(2,5-dimethylphenoxy)propan-2-ol
SMILESCc1ccc(C)c(OCC(O)CNC(C)C2CC2)c1
InChIInChI=1S/C16H25NO2/c1-11-4-5-12(2)16(8-11)19-10-15(18)9-17-13(3)14-6-7-14/h4-5,8,13-15,17-18H,6-7,9-10H2,1-3H3
InChIKeyXWQQKNWLIUFTEL-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

1-(1-cyclopropylethylamino)-3-(4-methylphenoxy)propan-2-ol
CID 54938847
1-(cyclobutylamino)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 62415346
1-(2,5-dimethylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 61463540
1-cyclopropyl-2-(2,5-dimethylphenoxy)ethanol
CID 63907048
(2R)-1-(2,5-dimethylphenoxy)-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 7024944
2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 103914070
(2R)-1-(4-chloro-3-methylphenoxy)-3-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol
CID 39840286
1-(2,5-dimethylphenoxy)-3-(2-methoxypropylamino)propan-2-ol
CID 102697861
1-(2-bromo-4-methylphenoxy)-3-(dicyclopropylmethylamino)propan-2-ol
CID 60713214
1-(2,5-dimethylphenoxy)-3-(4-methylpentylamino)propan-2-ol
CID 60745298
1-(2,5-dimethylphenoxy)-3-[[1-(hydroxymethyl)cyclopentyl]amino]propan-2-ol
CID 62517402
1-(2,5-dimethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60632864

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethylamino)-3-(2,5-dimethylphenoxy)propan-2-ol?
The IUPAC name of 1-(1-cyclopropylethylamino)-3-(2,5-dimethylphenoxy)propan-2-ol (CID 54938516) is 1-(1-cyclopropylethylamino)-3-(2,5-dimethylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(1-cyclopropylethylamino)-3-(2,5-dimethylphenoxy)propan-2-ol?
The canonical SMILES for 1-(1-cyclopropylethylamino)-3-(2,5-dimethylphenoxy)propan-2-ol is Cc1ccc(C)c(OCC(O)CNC(C)C2CC2)c1.
What is the InChIKey of 1-(1-cyclopropylethylamino)-3-(2,5-dimethylphenoxy)propan-2-ol?
The InChIKey is XWQQKNWLIUFTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-4-5-12(2)16(8-11)19-10-15(18)9-17-13(3)14-6-7-14/h4-5,8,13-15,17-18H,6-7,9-10H2,1-3H3.
What are the key properties of 1-(1-cyclopropylethylamino)-3-(2,5-dimethylphenoxy)propan-2-ol?
1-(1-cyclopropylethylamino)-3-(2,5-dimethylphenoxy)propan-2-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 1-(1-cyclopropylethylamino)-3-(2,5-dimethylphenoxy)propan-2-ol is sourced from PubChem (CID 54938516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).