2-[(dimethylamino)methyl]phenol;4-methylmorpholine

C14H24N2O2 — CID 160689906

IUPAC2-[(dimethylamino)methyl]phenol;4-methylmorpholine
SMILESCN(C)Cc1ccccc1O.CN1CCOCC1
InChIInChI=1S/C9H13NO.C5H11NO/c1-10(2)7-8-5-3-4-6-9(8)11;1-6-2-4-7-5-3-6/h3-6,11H,7H2,1-2H3;2-5H2,1H3
InChIKeyRPGPWXSREYFXQW-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.40
Rot. Bonds2

About 2-[(dimethylamino)methyl]phenol;4-methylmorpholine

2-[(dimethylamino)methyl]phenol;4-methylmorpholine (PubChem CID 160689906) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]phenol;4-methylmorpholine.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]phenol;4-methylmorpholine
PubChem CID160689906
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-[(dimethylamino)methyl]phenol;4-methylmorpholine
SMILESCN(C)Cc1ccccc1O.CN1CCOCC1
InChIInChI=1S/C9H13NO.C5H11NO/c1-10(2)7-8-5-3-4-6-9(8)11;1-6-2-4-7-5-3-6/h3-6,11H,7H2,1-2H3;2-5H2,1H3
InChIKeyRPGPWXSREYFXQW-UHFFFAOYSA-N
XLogP1.40
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.40
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-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol
CID 82979927
2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol
CID 82980533
2-[(4-chloro-N-[(4-methylpiperazin-1-yl)-morpholin-4-ylphosphinothioyl]anilino)methyl]phenol
CID 102596619
2-[[[4-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol
CID 118815979
2-(4-morpholin-4-ylbutyl)phenol
CID 142043469
2-[[3-(dimethylamino)propyl-methylamino]methyl]phenol
CID 115349430
2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]phenol
CID 105480737
2-[1-(dimethylamino)ethyl]phenol;2-[(dimethylamino)methyl]phenol
CID 174369266
9H-fluorene;4-methylmorpholine
CID 158477262
benzene-1,3-diamine;2-[(dimethylamino)methyl]phenol;formaldehyde
CID 6455837
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4-dimethylmorpholine-2-carboxamide
CID 110267598
17,23-dimethyl-4,11,20,28-tetraoxa-1,14,17,23-tetrazatricyclo[12.11.5.05,10]triaconta-5,7,9-triene
CID 174302354

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]phenol;4-methylmorpholine?
The IUPAC name of 2-[(dimethylamino)methyl]phenol;4-methylmorpholine (CID 160689906) is 2-[(dimethylamino)methyl]phenol;4-methylmorpholine.
What is the SMILES notation for 2-[(dimethylamino)methyl]phenol;4-methylmorpholine?
The canonical SMILES for 2-[(dimethylamino)methyl]phenol;4-methylmorpholine is CN(C)Cc1ccccc1O.CN1CCOCC1.
What is the InChIKey of 2-[(dimethylamino)methyl]phenol;4-methylmorpholine?
The InChIKey is RPGPWXSREYFXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.C5H11NO/c1-10(2)7-8-5-3-4-6-9(8)11;1-6-2-4-7-5-3-6/h3-6,11H,7H2,1-2H3;2-5H2,1H3.
What are the key properties of 2-[(dimethylamino)methyl]phenol;4-methylmorpholine?
2-[(dimethylamino)methyl]phenol;4-methylmorpholine has a molecular weight of 252.36 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]phenol;4-methylmorpholine is sourced from PubChem (CID 160689906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).