3-[[2-(methoxymethyl)phenyl]methylamino]-2-methylbutan-2-ol

C14H23NO2 — CID 65338098

IUPAC3-[[2-(methoxymethyl)phenyl]methylamino]-2-methylbutan-2-ol
SMILESCOCc1ccccc1CNC(C)C(C)(C)O
InChIInChI=1S/C14H23NO2/c1-11(14(2,3)16)15-9-12-7-5-6-8-13(12)10-17-4/h5-8,11,15-16H,9-10H2,1-4H3
InChIKeyKXPJKIPSTLFTOS-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.08
Rot. Bonds6

About 3-[[2-(methoxymethyl)phenyl]methylamino]-2-methylbutan-2-ol

3-[[2-(methoxymethyl)phenyl]methylamino]-2-methylbutan-2-ol (PubChem CID 65338098) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-[[2-(methoxymethyl)phenyl]methylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-[[2-(methoxymethyl)phenyl]methylamino]-2-methylbutan-2-ol
PubChem CID65338098
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-[[2-(methoxymethyl)phenyl]methylamino]-2-methylbutan-2-ol
SMILESCOCc1ccccc1CNC(C)C(C)(C)O
InChIInChI=1S/C14H23NO2/c1-11(14(2,3)16)15-9-12-7-5-6-8-13(12)10-17-4/h5-8,11,15-16H,9-10H2,1-4H3
InChIKeyKXPJKIPSTLFTOS-UHFFFAOYSA-N
XLogP2.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
CID 54861814
N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
CID 54861778
6,6,6-trifluoro-N-[[2-(methoxymethyl)phenyl]methyl]hexan-2-amine
CID 116534560
1-[[2-(methoxymethyl)phenyl]methylamino]propan-2-ol
CID 60924440
N'-hydroxy-2-[[2-(methoxymethyl)phenyl]methylamino]propanimidamide
CID 77026376
(1R)-1-cyclopentyl-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 81395717
N-[[2-(methoxymethyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine
CID 64630766
2-hydroxy-3-[[2-(methoxymethyl)phenyl]methylamino]-2-methylpropanoic acid
CID 104644037
1-(5-bromofuran-2-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 104652747
N-[[2-(methoxymethyl)phenyl]methyl]-2-(methylamino)propanamide
CID 55096555
1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 103924687
N-[[2-(methoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115878963

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(methoxymethyl)phenyl]methylamino]-2-methylbutan-2-ol?
The IUPAC name of 3-[[2-(methoxymethyl)phenyl]methylamino]-2-methylbutan-2-ol (CID 65338098) is 3-[[2-(methoxymethyl)phenyl]methylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 3-[[2-(methoxymethyl)phenyl]methylamino]-2-methylbutan-2-ol?
The canonical SMILES for 3-[[2-(methoxymethyl)phenyl]methylamino]-2-methylbutan-2-ol is COCc1ccccc1CNC(C)C(C)(C)O.
What is the InChIKey of 3-[[2-(methoxymethyl)phenyl]methylamino]-2-methylbutan-2-ol?
The InChIKey is KXPJKIPSTLFTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(14(2,3)16)15-9-12-7-5-6-8-13(12)10-17-4/h5-8,11,15-16H,9-10H2,1-4H3.
What are the key properties of 3-[[2-(methoxymethyl)phenyl]methylamino]-2-methylbutan-2-ol?
3-[[2-(methoxymethyl)phenyl]methylamino]-2-methylbutan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(methoxymethyl)phenyl]methylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 65338098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).