4-[(N-ethyl-2-methylanilino)methyl]-2,2,5,5-tetramethyloxolan-3-ol

C18H29NO2 — CID 79915138

IUPAC4-[(N-ethyl-2-methylanilino)methyl]-2,2,5,5-tetramethyloxolan-3-ol
SMILESCCN(CC1C(O)C(C)(C)OC1(C)C)c1ccccc1C
InChIInChI=1S/C18H29NO2/c1-7-19(15-11-9-8-10-13(15)2)12-14-16(20)18(5,6)21-17(14,3)4/h8-11,14,16,20H,7,12H2,1-6H3
InChIKeyYNENVSOZQLCHOE-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.39
Rot. Bonds4

About 4-[(N-ethyl-2-methylanilino)methyl]-2,2,5,5-tetramethyloxolan-3-ol

4-[(N-ethyl-2-methylanilino)methyl]-2,2,5,5-tetramethyloxolan-3-ol (PubChem CID 79915138) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-[(N-ethyl-2-methylanilino)methyl]-2,2,5,5-tetramethyloxolan-3-ol.

Molecular Properties

Compound Name4-[(N-ethyl-2-methylanilino)methyl]-2,2,5,5-tetramethyloxolan-3-ol
PubChem CID79915138
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name4-[(N-ethyl-2-methylanilino)methyl]-2,2,5,5-tetramethyloxolan-3-ol
SMILESCCN(CC1C(O)C(C)(C)OC1(C)C)c1ccccc1C
InChIInChI=1S/C18H29NO2/c1-7-19(15-11-9-8-10-13(15)2)12-14-16(20)18(5,6)21-17(14,3)4/h8-11,14,16,20H,7,12H2,1-6H3
InChIKeyYNENVSOZQLCHOE-UHFFFAOYSA-N
XLogP3.39
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethyl-2-methylaniline
CID 79866942
2-[(N-ethyl-2-methylanilino)methyl]-4-propylcyclohexan-1-ol
CID 63495843
N-ethyl-2-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 62425314
2-[(N-ethyl-2-methylanilino)methyl]-N-methylcycloheptan-1-amine
CID 63483965
N-ethyl-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 28598067
4-[(N-ethyl-2-methylanilino)methyl]-4-methyloxolan-3-amine
CID 66263494
2-[(N-ethyl-2-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one
CID 64735996
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-2-methylaniline
CID 79318520
4-(N-ethyl-2-methylanilino)butan-2-one
CID 28948801
N-ethyl-2-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 63484140
1-(N-ethyl-2-methylanilino)-3-sulfanylpropan-2-ol
CID 174382488
N'-ethyl-2-methylidene-N'-(2-methylphenyl)propane-1,3-diamine
CID 103069098

Frequently Asked Questions

What is the IUPAC name of 4-[(N-ethyl-2-methylanilino)methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The IUPAC name of 4-[(N-ethyl-2-methylanilino)methyl]-2,2,5,5-tetramethyloxolan-3-ol (CID 79915138) is 4-[(N-ethyl-2-methylanilino)methyl]-2,2,5,5-tetramethyloxolan-3-ol.
What is the SMILES notation for 4-[(N-ethyl-2-methylanilino)methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The canonical SMILES for 4-[(N-ethyl-2-methylanilino)methyl]-2,2,5,5-tetramethyloxolan-3-ol is CCN(CC1C(O)C(C)(C)OC1(C)C)c1ccccc1C.
What is the InChIKey of 4-[(N-ethyl-2-methylanilino)methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The InChIKey is YNENVSOZQLCHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-7-19(15-11-9-8-10-13(15)2)12-14-16(20)18(5,6)21-17(14,3)4/h8-11,14,16,20H,7,12H2,1-6H3.
What are the key properties of 4-[(N-ethyl-2-methylanilino)methyl]-2,2,5,5-tetramethyloxolan-3-ol?
4-[(N-ethyl-2-methylanilino)methyl]-2,2,5,5-tetramethyloxolan-3-ol has a molecular weight of 291.44 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N-ethyl-2-methylanilino)methyl]-2,2,5,5-tetramethyloxolan-3-ol is sourced from PubChem (CID 79915138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).