1-(3-methylphenoxy)-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol

C16H25NO3 — CID 61039860

IUPAC1-(3-methylphenoxy)-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
SMILESCc1cccc(OCC(O)CNCCC2CCCO2)c1
InChIInChI=1S/C16H25NO3/c1-13-4-2-5-16(10-13)20-12-14(18)11-17-8-7-15-6-3-9-19-15/h2,4-5,10,14-15,17-18H,3,6-9,11-12H2,1H3
InChIKeyDMBWAUYKNSBFEX-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.89
Rot. Bonds8

About 1-(3-methylphenoxy)-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol

1-(3-methylphenoxy)-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol (PubChem CID 61039860) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(3-methylphenoxy)-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(3-methylphenoxy)-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
PubChem CID61039860
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-(3-methylphenoxy)-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
SMILESCc1cccc(OCC(O)CNCCC2CCCO2)c1
InChIInChI=1S/C16H25NO3/c1-13-4-2-5-16(10-13)20-12-14(18)11-17-8-7-15-6-3-9-19-15/h2,4-5,10,14-15,17-18H,3,6-9,11-12H2,1H3
InChIKeyDMBWAUYKNSBFEX-UHFFFAOYSA-N
XLogP1.89
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenoxy)-3-(oxolan-2-ylmethylamino)propan-2-ol
CID 60633751
1-methoxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 63928603
1-[methyl(oxan-2-ylmethyl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 110902606
2-[2-hydroxy-3-[2-(oxolan-2-yl)ethylamino]propoxy]benzonitrile
CID 61039506
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
(2S)-1-[2-(3-methoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol
CID 97356530
1-(3-methylphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585686
N-methyl-1-(3-methylphenoxy)-6-(oxolan-2-yl)hexan-3-amine
CID 105156705
4-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butanamide
CID 54937901
(2R)-4-cyclopentyl-1-(3-methylphenoxy)butan-2-ol
CID 161303338
1-(3-methylphenoxy)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol
CID 106045312
1-(3-methylphenoxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol
CID 60908884

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenoxy)-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-(3-methylphenoxy)-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol (CID 61039860) is 1-(3-methylphenoxy)-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(3-methylphenoxy)-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-(3-methylphenoxy)-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol is Cc1cccc(OCC(O)CNCCC2CCCO2)c1.
What is the InChIKey of 1-(3-methylphenoxy)-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol?
The InChIKey is DMBWAUYKNSBFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-13-4-2-5-16(10-13)20-12-14(18)11-17-8-7-15-6-3-9-19-15/h2,4-5,10,14-15,17-18H,3,6-9,11-12H2,1H3.
What are the key properties of 1-(3-methylphenoxy)-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol?
1-(3-methylphenoxy)-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenoxy)-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 61039860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).