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

C14H23NO2 — CID 64803102

IUPAC3-(2,5-dimethylphenoxy)-2-(propan-2-ylamino)propan-1-ol
SMILESCc1ccc(C)c(OCC(CO)NC(C)C)c1
InChIInChI=1S/C14H23NO2/c1-10(2)15-13(8-16)9-17-14-7-11(3)5-6-12(14)4/h5-7,10,13,15-16H,8-9H2,1-4H3
InChIKeyJDUYDJFANQQOMC-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.04
Rot. Bonds6

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

3-(2,5-dimethylphenoxy)-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64803102) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-(2,5-dimethylphenoxy)-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2,5-dimethylphenoxy)-2-(propan-2-ylamino)propan-1-ol
PubChem CID64803102
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-(2,5-dimethylphenoxy)-2-(propan-2-ylamino)propan-1-ol
SMILESCc1ccc(C)c(OCC(CO)NC(C)C)c1
InChIInChI=1S/C14H23NO2/c1-10(2)15-13(8-16)9-17-14-7-11(3)5-6-12(14)4/h5-7,10,13,15-16H,8-9H2,1-4H3
InChIKeyJDUYDJFANQQOMC-UHFFFAOYSA-N
XLogP2.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-(2,5-dimethylphenoxy)-2-(propylamino)propan-1-ol
CID 64804340
3-(2,5-dimethylphenoxy)-2-methylpropan-1-ol
CID 82075966
2-(cyclopropylamino)-3-(2,5-dimethylphenoxy)propan-1-ol
CID 64802892
3-(2,3-dimethylphenoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64804810
3-(2,5-dimethylphenoxy)-2-methylpropanenitrile
CID 43174872
2-(propan-2-ylamino)-4-(2,3,5-trimethylphenoxy)butan-1-ol
CID 64805200
3-(2,5-dimethylphenoxy)-2-methylpropanoic acid
CID 43537634
1-(2,5-dimethylphenoxy)-3-methylbutan-2-amine
CID 79023730
(2,5-dimethylphenoxy)methanol;ethane
CID 143103425
1-cyclopropyl-2-(2,5-dimethylphenoxy)ethanol
CID 63907048
3-(2-methoxy-4-methylphenoxy)-2-(propylamino)propan-1-ol
CID 64805164
(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-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 3-(2,5-dimethylphenoxy)-2-(propan-2-ylamino)propan-1-ol (CID 64803102) is 3-(2,5-dimethylphenoxy)-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-(2,5-dimethylphenoxy)-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 3-(2,5-dimethylphenoxy)-2-(propan-2-ylamino)propan-1-ol is Cc1ccc(C)c(OCC(CO)NC(C)C)c1.
What is the InChIKey of 3-(2,5-dimethylphenoxy)-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is JDUYDJFANQQOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(2)15-13(8-16)9-17-14-7-11(3)5-6-12(14)4/h5-7,10,13,15-16H,8-9H2,1-4H3.
What are the key properties of 3-(2,5-dimethylphenoxy)-2-(propan-2-ylamino)propan-1-ol?
3-(2,5-dimethylphenoxy)-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.04, 6 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-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64803102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).