2-methyl-3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]oxolan-3-ol

C18H29NO2 — CID 107270585

IUPAC2-methyl-3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]oxolan-3-ol
SMILESCC(C)Cc1ccc(C(C)NCC2(O)CCOC2C)cc1
InChIInChI=1S/C18H29NO2/c1-13(2)11-16-5-7-17(8-6-16)14(3)19-12-18(20)9-10-21-15(18)4/h5-8,13-15,19-20H,9-12H2,1-4H3
InChIKeyXUOQUCDAGJTJSQ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.08
Rot. Bonds6

About 2-methyl-3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]oxolan-3-ol

2-methyl-3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]oxolan-3-ol (PubChem CID 107270585) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-methyl-3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]oxolan-3-ol
PubChem CID107270585
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-methyl-3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]oxolan-3-ol
SMILESCC(C)Cc1ccc(C(C)NCC2(O)CCOC2C)cc1
InChIInChI=1S/C18H29NO2/c1-13(2)11-16-5-7-17(8-6-16)14(3)19-12-18(20)9-10-21-15(18)4/h5-8,13-15,19-20H,9-12H2,1-4H3
InChIKeyXUOQUCDAGJTJSQ-UHFFFAOYSA-N
XLogP3.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethyl]benzenesulfonamide
CID 107270686
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
3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270892
3-[[1-[3-(difluoromethoxy)phenyl]ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270673
N-[(1-methylcyclopentyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 63822061
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
2-methyl-3-[(1-phenylbutylamino)methyl]oxolan-3-ol
CID 107270869
3-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270802
1-[4-(2-methylpropyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine
CID 62385198
(2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol
CID 98041266

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]oxolan-3-ol (CID 107270585) is 2-methyl-3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]oxolan-3-ol is CC(C)Cc1ccc(C(C)NCC2(O)CCOC2C)cc1.
What is the InChIKey of 2-methyl-3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]oxolan-3-ol?
The InChIKey is XUOQUCDAGJTJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-13(2)11-16-5-7-17(8-6-16)14(3)19-12-18(20)9-10-21-15(18)4/h5-8,13-15,19-20H,9-12H2,1-4H3.
What are the key properties of 2-methyl-3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]oxolan-3-ol?
2-methyl-3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]oxolan-3-ol has a molecular weight of 291.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 107270585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).