2-((Diethylamino)methyl)phenol

HCID 21092

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Basic information

CAS: 4992-02-3
Standard SMILES: CCN(CC)Cc1ccccc1O
InChIKey: IGXXOUGMPVOZFH-UHFFFAOYSA-N
Molecular formula: C11H17NO
Average molar mass: 179.26 g/mol
Monoisotopic mass: 179.13101417

Names & identifiers

Preferred name: 2-((Diethylamino)methyl)phenol
IUPAC: 2-(diethylaminomethyl)phenol

Names & synonyms

2-[(diethylamino)methyl]phenolo-CRESOL, alpha-(DIETHYLAMINO)-4992-02-32-((diethylamino)methyl)phenolDTXSID00198153RefChem:1060570DTXCID30120644o-DiethylaminomethylphenolBRN 2803355alpha-(Diethylamino)-o-cresolPhenol, 2-((diethylamino)methyl)-2-diethylaminomethylphenol

Show more names

SCHEMBL1822448SCHEMBL7822601SCHEMBL31038835IGXXOUGMPVOZFH-UHFFFAOYSA-NSTK118612AKOS0053999613-13-00-01539 (Beilstein Handbook Reference)

Database identifiers

CAS: 4992-02-3
PubChem CID: 21092
DTXSID: DTXSID00198153
Nikkaji: J801.726C

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 134

Related reactions

1 records

New reaction record

HRID 2057722As reactantuspto-grants-1980_07

Compound notes

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