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

C14H23NO2 — CID 64804340

IUPAC3-(2,5-dimethylphenoxy)-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)COc1cc(C)ccc1C
InChIInChI=1S/C14H23NO2/c1-4-7-15-13(9-16)10-17-14-8-11(2)5-6-12(14)3/h5-6,8,13,15-16H,4,7,9-10H2,1-3H3
InChIKeySRXXSVVONKMURR-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.04
Rot. Bonds7

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

3-(2,5-dimethylphenoxy)-2-(propylamino)propan-1-ol (PubChem CID 64804340) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-(2,5-dimethylphenoxy)-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2,5-dimethylphenoxy)-2-(propylamino)propan-1-ol
PubChem CID64804340
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-(2,5-dimethylphenoxy)-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)COc1cc(C)ccc1C
InChIInChI=1S/C14H23NO2/c1-4-7-15-13(9-16)10-17-14-8-11(2)5-6-12(14)3/h5-6,8,13,15-16H,4,7,9-10H2,1-3H3
InChIKeySRXXSVVONKMURR-UHFFFAOYSA-N
XLogP2.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxy-4-methylphenoxy)-2-(propylamino)propan-1-ol
CID 64805164
3-(2,5-dimethylphenoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64803102
2-(cyclopropylamino)-3-(2,5-dimethylphenoxy)propan-1-ol
CID 64802892
4-(2-fluoro-5-methylphenoxy)-3-(propylamino)butan-1-ol
CID 64898881
3-(2,5-dimethylphenoxy)-2-methylpropan-1-ol
CID 82075966
3-(2-phenylphenoxy)-2-(propylamino)propan-1-ol
CID 64802633
ethyl 4-(2,5-dimethylphenoxy)-2-(propylamino)butanoate
CID 63040489
(2,5-dimethylphenoxy)methanol;ethane
CID 143103425
1-cyclopropyl-2-(2,5-dimethylphenoxy)ethanol
CID 63907048
1-(2,5-dimethylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 61463540
2-(propylamino)-4-(N,2,4-trimethylanilino)butan-1-ol
CID 64790360
(2S)-1-chloro-3-(2,5-dimethylphenoxy)propan-2-ol
CID 101343601

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenoxy)-2-(propylamino)propan-1-ol?
The IUPAC name of 3-(2,5-dimethylphenoxy)-2-(propylamino)propan-1-ol (CID 64804340) is 3-(2,5-dimethylphenoxy)-2-(propylamino)propan-1-ol.
What is the SMILES notation for 3-(2,5-dimethylphenoxy)-2-(propylamino)propan-1-ol?
The canonical SMILES for 3-(2,5-dimethylphenoxy)-2-(propylamino)propan-1-ol is CCCNC(CO)COc1cc(C)ccc1C.
What is the InChIKey of 3-(2,5-dimethylphenoxy)-2-(propylamino)propan-1-ol?
The InChIKey is SRXXSVVONKMURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-7-15-13(9-16)10-17-14-8-11(2)5-6-12(14)3/h5-6,8,13,15-16H,4,7,9-10H2,1-3H3.
What are the key properties of 3-(2,5-dimethylphenoxy)-2-(propylamino)propan-1-ol?
3-(2,5-dimethylphenoxy)-2-(propylamino)propan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenoxy)-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64804340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).