2-(oxolan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol

C16H25NO3 — CID 82314086

IUPAC2-(oxolan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol
SMILESCCCOc1ccc(C(O)CNCC2CCCO2)cc1
InChIInChI=1S/C16H25NO3/c1-2-9-19-14-7-5-13(6-8-14)16(18)12-17-11-15-4-3-10-20-15/h5-8,15-18H,2-4,9-12H2,1H3
InChIKeyKSUFTUKOWCTOQG-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.28
Rot. Bonds8

About 2-(oxolan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol

2-(oxolan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol (PubChem CID 82314086) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol
PubChem CID82314086
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-(oxolan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol
SMILESCCCOc1ccc(C(O)CNCC2CCCO2)cc1
InChIInChI=1S/C16H25NO3/c1-2-9-19-14-7-5-13(6-8-14)16(18)12-17-11-15-4-3-10-20-15/h5-8,15-18H,2-4,9-12H2,1H3
InChIKeyKSUFTUKOWCTOQG-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxolan-2-yl)-1-(4-propoxyphenyl)propan-1-ol
CID 65162391
2-(oxolan-2-ylmethylamino)-2-(4-propoxyphenyl)acetamide
CID 62497281
1-(4-chlorophenyl)-2-(oxan-2-ylmethylamino)ethanol
CID 55014099
N-(oxolan-2-ylmethyl)-N'-(4-propoxyphenyl)oxamide
CID 2926686
2-(methylamino)-1-(4-propoxyphenyl)ethanol
CID 62772547
2-(pentylamino)-1-(4-propoxyphenyl)ethanol
CID 82314080
4-oxo-N-(oxolan-2-ylmethyl)-4-(4-propoxyphenyl)butanamide
CID 78774490
2-(3-methoxypropylamino)-1-(4-propoxyphenyl)ethanol
CID 82314072
2-[2-(4-propoxyphenoxy)ethylsulfanylmethyl]oxolane
CID 112815270
N-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 54797689
N-[oxolan-2-yl-(4-propoxyphenyl)methyl]ethanamine
CID 65328700
(1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 63364123

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol?
The IUPAC name of 2-(oxolan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol (CID 82314086) is 2-(oxolan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol.
What is the SMILES notation for 2-(oxolan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol?
The canonical SMILES for 2-(oxolan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol is CCCOc1ccc(C(O)CNCC2CCCO2)cc1.
What is the InChIKey of 2-(oxolan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol?
The InChIKey is KSUFTUKOWCTOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-2-9-19-14-7-5-13(6-8-14)16(18)12-17-11-15-4-3-10-20-15/h5-8,15-18H,2-4,9-12H2,1H3.
What are the key properties of 2-(oxolan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol?
2-(oxolan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol has a molecular weight of 279.38 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol is sourced from PubChem (CID 82314086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).