3-[[1-(4-chlorophenyl)ethylamino]methyl]oxolan-3-ol

C13H18ClNO2 — CID 103904766

IUPAC3-[[1-(4-chlorophenyl)ethylamino]methyl]oxolan-3-ol
SMILESCC(NCC1(O)CCOC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO2/c1-10(11-2-4-12(14)5-3-11)15-8-13(16)6-7-17-9-13/h2-5,10,15-16H,6-9H2,1H3
InChIKeyYSFOBPPPUMWXKY-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.14
Rot. Bonds4

About 3-[[1-(4-chlorophenyl)ethylamino]methyl]oxolan-3-ol

3-[[1-(4-chlorophenyl)ethylamino]methyl]oxolan-3-ol (PubChem CID 103904766) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 3-[[1-(4-chlorophenyl)ethylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[1-(4-chlorophenyl)ethylamino]methyl]oxolan-3-ol
PubChem CID103904766
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name3-[[1-(4-chlorophenyl)ethylamino]methyl]oxolan-3-ol
SMILESCC(NCC1(O)CCOC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO2/c1-10(11-2-4-12(14)5-3-11)15-8-13(16)6-7-17-9-13/h2-5,10,15-16H,6-9H2,1H3
InChIKeyYSFOBPPPUMWXKY-UHFFFAOYSA-N
XLogP2.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(4-chlorophenyl)ethylamino]methyl]cyclohexan-1-ol
CID 54965453
3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]oxolan-3-ol
CID 103904838
(3R)-3-[[[(1R)-1-(4-bromo-3-methylphenyl)ethyl]amino]methyl]oxolan-3-ol
CID 100679283
3-[(1-thiophen-3-ylethylamino)methyl]oxolan-3-ol
CID 115896443
3-[[1-(3-methylphenyl)ethylamino]methyl]oxolan-3-ol
CID 103904871
3-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylamino]methyl]oxolan-3-ol
CID 103904784
(3S)-3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]oxolan-3-ol
CID 97108282
4-[[1-(4-ethylphenyl)ethylamino]methyl]oxan-4-ol
CID 81130776
(3R)-3-[[[(1R)-1-(3,4-difluorophenyl)-2-methylpropyl]amino]methyl]oxolan-3-ol
CID 99820767
3-[[1-(2-hydroxyphenyl)ethylamino]methyl]oxolan-3-ol
CID 113383834
4-[1-[(4-hydroxyoxan-4-yl)methylamino]ethyl]benzonitrile
CID 81131112
(3S)-3-[[[(1S)-1-(5-ethylfuran-2-yl)ethyl]amino]methyl]oxolan-3-ol
CID 97108238

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-chlorophenyl)ethylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[1-(4-chlorophenyl)ethylamino]methyl]oxolan-3-ol (CID 103904766) is 3-[[1-(4-chlorophenyl)ethylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[1-(4-chlorophenyl)ethylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[1-(4-chlorophenyl)ethylamino]methyl]oxolan-3-ol is CC(NCC1(O)CCOC1)c1ccc(Cl)cc1.
What is the InChIKey of 3-[[1-(4-chlorophenyl)ethylamino]methyl]oxolan-3-ol?
The InChIKey is YSFOBPPPUMWXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-10(11-2-4-12(14)5-3-11)15-8-13(16)6-7-17-9-13/h2-5,10,15-16H,6-9H2,1H3.
What are the key properties of 3-[[1-(4-chlorophenyl)ethylamino]methyl]oxolan-3-ol?
3-[[1-(4-chlorophenyl)ethylamino]methyl]oxolan-3-ol has a molecular weight of 255.75 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-chlorophenyl)ethylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 103904766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).