4-[1-(4-methylphenoxy)propan-2-ylamino]oxolan-3-ol

C14H21NO3 — CID 61166948

IUPAC4-[1-(4-methylphenoxy)propan-2-ylamino]oxolan-3-ol
SMILESCc1ccc(OCC(C)NC2COCC2O)cc1
InChIInChI=1S/C14H21NO3/c1-10-3-5-12(6-4-10)18-7-11(2)15-13-8-17-9-14(13)16/h3-6,11,13-16H,7-9H2,1-2H3
InChIKeyYWOQGZUUKALFJW-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.11
Rot. Bonds5

About 4-[1-(4-methylphenoxy)propan-2-ylamino]oxolan-3-ol

4-[1-(4-methylphenoxy)propan-2-ylamino]oxolan-3-ol (PubChem CID 61166948) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[1-(4-methylphenoxy)propan-2-ylamino]oxolan-3-ol.

Molecular Properties

Compound Name4-[1-(4-methylphenoxy)propan-2-ylamino]oxolan-3-ol
PubChem CID61166948
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name4-[1-(4-methylphenoxy)propan-2-ylamino]oxolan-3-ol
SMILESCc1ccc(OCC(C)NC2COCC2O)cc1
InChIInChI=1S/C14H21NO3/c1-10-3-5-12(6-4-10)18-7-11(2)15-13-8-17-9-14(13)16/h3-6,11,13-16H,7-9H2,1-2H3
InChIKeyYWOQGZUUKALFJW-UHFFFAOYSA-N
XLogP1.11
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-methylphenoxy)propan-2-ylamino]cycloheptan-1-ol
CID 61166947
4-[1-(4-methylphenoxy)propan-2-ylamino]cyclohexan-1-ol
CID 106594454
N-[1-(4-methylphenoxy)propan-2-yl]cyclopentanamine
CID 61168103
4-[[(1S)-1-(4-methylphenyl)ethyl]amino]oxolan-3-ol
CID 81355689
1-methyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine
CID 61168104
2-[1-(4-methylphenoxy)propan-2-ylamino]ethanol
CID 61166956
N-(1,3-dioxan-4-ylmethyl)-1-(4-methylphenoxy)propan-2-amine
CID 81101195
1,2-dimethyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine
CID 81333951
5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]hexan-2-amine
CID 63452663
2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide
CID 52773928
1-cyclopentyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propan-2-ol
CID 103157412
3-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]pentan-3-ol
CID 114492877

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methylphenoxy)propan-2-ylamino]oxolan-3-ol?
The IUPAC name of 4-[1-(4-methylphenoxy)propan-2-ylamino]oxolan-3-ol (CID 61166948) is 4-[1-(4-methylphenoxy)propan-2-ylamino]oxolan-3-ol.
What is the SMILES notation for 4-[1-(4-methylphenoxy)propan-2-ylamino]oxolan-3-ol?
The canonical SMILES for 4-[1-(4-methylphenoxy)propan-2-ylamino]oxolan-3-ol is Cc1ccc(OCC(C)NC2COCC2O)cc1.
What is the InChIKey of 4-[1-(4-methylphenoxy)propan-2-ylamino]oxolan-3-ol?
The InChIKey is YWOQGZUUKALFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10-3-5-12(6-4-10)18-7-11(2)15-13-8-17-9-14(13)16/h3-6,11,13-16H,7-9H2,1-2H3.
What are the key properties of 4-[1-(4-methylphenoxy)propan-2-ylamino]oxolan-3-ol?
4-[1-(4-methylphenoxy)propan-2-ylamino]oxolan-3-ol has a molecular weight of 251.33 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methylphenoxy)propan-2-ylamino]oxolan-3-ol is sourced from PubChem (CID 61166948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).