2-[(3,3-dimethylmorpholin-4-yl)methyl]-6-methoxyphenol

C14H21NO3 — CID 82986122

IUPAC2-[(3,3-dimethylmorpholin-4-yl)methyl]-6-methoxyphenol
SMILESCOc1cccc(CN2CCOCC2(C)C)c1O
InChIInChI=1S/C14H21NO3/c1-14(2)10-18-8-7-15(14)9-11-5-4-6-12(17-3)13(11)16/h4-6,16H,7-10H2,1-3H3
InChIKeyIANDZCHGGNUSES-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.01
Rot. Bonds3

About 2-[(3,3-dimethylmorpholin-4-yl)methyl]-6-methoxyphenol

2-[(3,3-dimethylmorpholin-4-yl)methyl]-6-methoxyphenol (PubChem CID 82986122) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(3,3-dimethylmorpholin-4-yl)methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(3,3-dimethylmorpholin-4-yl)methyl]-6-methoxyphenol
PubChem CID82986122
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[(3,3-dimethylmorpholin-4-yl)methyl]-6-methoxyphenol
SMILESCOc1cccc(CN2CCOCC2(C)C)c1O
InChIInChI=1S/C14H21NO3/c1-14(2)10-18-8-7-15(14)9-11-5-4-6-12(17-3)13(11)16/h4-6,16H,7-10H2,1-3H3
InChIKeyIANDZCHGGNUSES-UHFFFAOYSA-N
XLogP2.01
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(3,3-dimethylmorpholin-4-yl)methyl]aniline
CID 61428614
4-bromo-2-[(3,3-dimethylmorpholin-4-yl)methyl]phenol
CID 82986046
3-[(3,3-dimethylmorpholin-4-yl)methyl]-2-fluorobenzenecarbothioamide
CID 107115386
3-[2-[(3,3-dimethylmorpholin-4-yl)methyl]-4-methoxyphenyl]prop-2-yn-1-ol
CID 65322041
4-(2,3-dihydro-1H-indol-7-ylmethyl)-3,3-dimethylmorpholine
CID 114327100
3-[(3,3-dimethylmorpholin-4-yl)methyl]naphthalen-2-amine
CID 61430608
2-methoxy-6-[[(1-methylcyclopropyl)amino]methyl]phenol
CID 115635052
3-amino-1-[(2-hydroxy-3-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107320977
1-[3-[(3,3-dimethylmorpholin-4-yl)methyl]-4-ethoxyphenyl]ethanamine
CID 61433012
N-[2-(2-methoxyphenyl)ethyl]-3,3-dimethylmorpholine-4-carboxamide
CID 110421778
2-methoxy-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenol
CID 82962319
2-methoxy-6-[(oxan-4-ylmethylamino)methyl]phenol
CID 55210136

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethylmorpholin-4-yl)methyl]-6-methoxyphenol?
The IUPAC name of 2-[(3,3-dimethylmorpholin-4-yl)methyl]-6-methoxyphenol (CID 82986122) is 2-[(3,3-dimethylmorpholin-4-yl)methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(3,3-dimethylmorpholin-4-yl)methyl]-6-methoxyphenol?
The canonical SMILES for 2-[(3,3-dimethylmorpholin-4-yl)methyl]-6-methoxyphenol is COc1cccc(CN2CCOCC2(C)C)c1O.
What is the InChIKey of 2-[(3,3-dimethylmorpholin-4-yl)methyl]-6-methoxyphenol?
The InChIKey is IANDZCHGGNUSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2)10-18-8-7-15(14)9-11-5-4-6-12(17-3)13(11)16/h4-6,16H,7-10H2,1-3H3.
What are the key properties of 2-[(3,3-dimethylmorpholin-4-yl)methyl]-6-methoxyphenol?
2-[(3,3-dimethylmorpholin-4-yl)methyl]-6-methoxyphenol has a molecular weight of 251.33 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethylmorpholin-4-yl)methyl]-6-methoxyphenol is sourced from PubChem (CID 82986122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).