3-[[1-(2-chlorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol

C14H20ClNO2 — CID 107270611

IUPAC3-[[1-(2-chlorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol
SMILESCC(NCC1(O)CCOC1C)c1ccccc1Cl
InChIInChI=1S/C14H20ClNO2/c1-10(12-5-3-4-6-13(12)15)16-9-14(17)7-8-18-11(14)2/h3-6,10-11,16-17H,7-9H2,1-2H3
InChIKeyCALHCJOPONJZQR-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.53
Rot. Bonds4

About 3-[[1-(2-chlorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol

3-[[1-(2-chlorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol (PubChem CID 107270611) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 3-[[1-(2-chlorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[1-(2-chlorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol
PubChem CID107270611
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name3-[[1-(2-chlorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol
SMILESCC(NCC1(O)CCOC1C)c1ccccc1Cl
InChIInChI=1S/C14H20ClNO2/c1-10(12-5-3-4-6-13(12)15)16-9-14(17)7-8-18-11(14)2/h3-6,10-11,16-17H,7-9H2,1-2H3
InChIKeyCALHCJOPONJZQR-UHFFFAOYSA-N
XLogP2.53
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(4-chloro-3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270576
3-[[1-(3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270703
[1-[[1-(2-chlorophenyl)ethylamino]methyl]cyclohexyl]methanol
CID 79985726
3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270892
2-methyl-3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]oxolan-3-ol
CID 107270585
3-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270802
(2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol
CID 98041266
2-methyl-3-[(1-phenylbutylamino)methyl]oxolan-3-ol
CID 107270869
4-[1-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethyl]benzenesulfonamide
CID 107270686
3-[[1-[3-(difluoromethoxy)phenyl]ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270673
3-[[1-(3-fluorophenyl)propan-2-ylamino]methyl]-2-methyloxolan-3-ol
CID 107270655
2-methyl-3-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol
CID 107270667

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-chlorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[1-(2-chlorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol (CID 107270611) is 3-[[1-(2-chlorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[1-(2-chlorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[1-(2-chlorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol is CC(NCC1(O)CCOC1C)c1ccccc1Cl.
What is the InChIKey of 3-[[1-(2-chlorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol?
The InChIKey is CALHCJOPONJZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10(12-5-3-4-6-13(12)15)16-9-14(17)7-8-18-11(14)2/h3-6,10-11,16-17H,7-9H2,1-2H3.
What are the key properties of 3-[[1-(2-chlorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol?
3-[[1-(2-chlorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol has a molecular weight of 269.77 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-chlorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 107270611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).