4-[2-(dimethylamino)ethyl]-2-[(methoxyamino)methyl]phenol

C12H20N2O2 — CID 117322399

IUPAC4-[2-(dimethylamino)ethyl]-2-[(methoxyamino)methyl]phenol
SMILESCONCc1cc(CCN(C)C)ccc1O
InChIInChI=1S/C12H20N2O2/c1-14(2)7-6-10-4-5-12(15)11(8-10)9-13-16-3/h4-5,8,13,15H,6-7,9H2,1-3H3
InChIKeyGOVQIPDMRPIVSI-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.15
Rot. Bonds6

About 4-[2-(dimethylamino)ethyl]-2-[(methoxyamino)methyl]phenol

4-[2-(dimethylamino)ethyl]-2-[(methoxyamino)methyl]phenol (PubChem CID 117322399) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-2-[(methoxyamino)methyl]phenol.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-2-[(methoxyamino)methyl]phenol
PubChem CID117322399
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-[2-(dimethylamino)ethyl]-2-[(methoxyamino)methyl]phenol
SMILESCONCc1cc(CCN(C)C)ccc1O
InChIInChI=1S/C12H20N2O2/c1-14(2)7-6-10-4-5-12(15)11(8-10)9-13-16-3/h4-5,8,13,15H,6-7,9H2,1-3H3
InChIKeyGOVQIPDMRPIVSI-UHFFFAOYSA-N
XLogP1.15
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(dimethylamino)ethyl]-2-(2-hydroxyethyl)phenol
CID 117299095
4-[2-(dimethylamino)ethyl]-2-(3-hydroxypropyl)phenol
CID 117320433
4-[2-(dimethylamino)ethyl]benzene-1,2-diol;hydrobromide
CID 71442477
4-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclopropyl)phenol
CID 117316123
4-(1-fluoroethyl)-2-[(methoxyamino)methyl]phenol
CID 117288621
5-[(methoxyamino)methyl]benzene-1,2,4-triol;hydrochloride
CID 91937662
2-[(methoxyamino)methyl]-4-(2-methylbutan-2-yl)phenol
CID 117320534
6-[2-(dimethylamino)ethyl]naphthalene-2,3-diol;hydrochloride
CID 20541926
4-amino-2-[[2-(dimethylamino)ethylamino]methyl]phenol
CID 153328752
4-[[2-(dimethylamino)ethylamino]methyl]benzene-1,2-diol
CID 4663866
4-ethyl-2-[[2-[(5-ethyl-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol
CID 3843205
2-[1-(aminomethyl)cyclohexyl]-4-[2-(dimethylamino)ethyl]phenol
CID 117443136

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-2-[(methoxyamino)methyl]phenol?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-2-[(methoxyamino)methyl]phenol (CID 117322399) is 4-[2-(dimethylamino)ethyl]-2-[(methoxyamino)methyl]phenol.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-2-[(methoxyamino)methyl]phenol?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-2-[(methoxyamino)methyl]phenol is CONCc1cc(CCN(C)C)ccc1O.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-2-[(methoxyamino)methyl]phenol?
The InChIKey is GOVQIPDMRPIVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-14(2)7-6-10-4-5-12(15)11(8-10)9-13-16-3/h4-5,8,13,15H,6-7,9H2,1-3H3.
What are the key properties of 4-[2-(dimethylamino)ethyl]-2-[(methoxyamino)methyl]phenol?
4-[2-(dimethylamino)ethyl]-2-[(methoxyamino)methyl]phenol has a molecular weight of 224.30 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-2-[(methoxyamino)methyl]phenol is sourced from PubChem (CID 117322399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).