2-[1-(dimethylamino)ethyl]phenol;2-[(dimethylamino)methyl]phenol

C19H28N2O2 — CID 174369266

IUPAC2-[1-(dimethylamino)ethyl]phenol;2-[(dimethylamino)methyl]phenol
SMILESCC(c1ccccc1O)N(C)C.CN(C)Cc1ccccc1O
InChIInChI=1S/C10H15NO.C9H13NO/c1-8(11(2)3)9-6-4-5-7-10(9)12;1-10(2)7-8-5-3-4-6-9(8)11/h4-8,12H,1-3H3;3-6,11H,7H2,1-2H3
InChIKeyOWRKMWXNTLTTTN-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.47
Rot. Bonds4

About 2-[1-(dimethylamino)ethyl]phenol;2-[(dimethylamino)methyl]phenol

2-[1-(dimethylamino)ethyl]phenol;2-[(dimethylamino)methyl]phenol (PubChem CID 174369266) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-[1-(dimethylamino)ethyl]phenol;2-[(dimethylamino)methyl]phenol.

Molecular Properties

Compound Name2-[1-(dimethylamino)ethyl]phenol;2-[(dimethylamino)methyl]phenol
PubChem CID174369266
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name2-[1-(dimethylamino)ethyl]phenol;2-[(dimethylamino)methyl]phenol
SMILESCC(c1ccccc1O)N(C)C.CN(C)Cc1ccccc1O
InChIInChI=1S/C10H15NO.C9H13NO/c1-8(11(2)3)9-6-4-5-7-10(9)12;1-10(2)7-8-5-3-4-6-9(8)11/h4-8,12H,1-3H3;3-6,11H,7H2,1-2H3
InChIKeyOWRKMWXNTLTTTN-UHFFFAOYSA-N
XLogP3.47
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-1-[methyl(propan-2-yl)amino]ethyl]phenol
CID 101104323
2-[1-[2-(dimethylamino)ethyl-propylamino]ethyl]phenol
CID 82978176
2-[[2,2-difluoroethyl(methyl)amino]methyl]phenol
CID 115624862
hexamagnesium;hexakis([2-[(dimethylamino)methyl]phenyl]azanide)
CID 139241421
2-[[[4-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol
CID 118815979
benzene-1,3-diamine;2-[(dimethylamino)methyl]phenol;formaldehyde
CID 6455837
2-[1-[cyclopentylmethyl(methyl)amino]ethyl]phenol
CID 82721244
[2-[1-[ethyl(methyl)amino]ethyl]phenyl]methanol
CID 23154315
2-[(2-hydroxyphenyl)methyl-methylamino]propanoic acid
CID 65060241
(R)-[2-[(dimethylamino)methyl]phenyl]-phenylmethanol
CID 2054209
2-[(dimethylamino)methyl]phenol;4-methylmorpholine
CID 160689906
2-[3,3-bis(2-hydroxyphenyl)-2-methylpropyl]phenol
CID 154087711

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)ethyl]phenol;2-[(dimethylamino)methyl]phenol?
The IUPAC name of 2-[1-(dimethylamino)ethyl]phenol;2-[(dimethylamino)methyl]phenol (CID 174369266) is 2-[1-(dimethylamino)ethyl]phenol;2-[(dimethylamino)methyl]phenol.
What is the SMILES notation for 2-[1-(dimethylamino)ethyl]phenol;2-[(dimethylamino)methyl]phenol?
The canonical SMILES for 2-[1-(dimethylamino)ethyl]phenol;2-[(dimethylamino)methyl]phenol is CC(c1ccccc1O)N(C)C.CN(C)Cc1ccccc1O.
What is the InChIKey of 2-[1-(dimethylamino)ethyl]phenol;2-[(dimethylamino)methyl]phenol?
The InChIKey is OWRKMWXNTLTTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.C9H13NO/c1-8(11(2)3)9-6-4-5-7-10(9)12;1-10(2)7-8-5-3-4-6-9(8)11/h4-8,12H,1-3H3;3-6,11H,7H2,1-2H3.
What are the key properties of 2-[1-(dimethylamino)ethyl]phenol;2-[(dimethylamino)methyl]phenol?
2-[1-(dimethylamino)ethyl]phenol;2-[(dimethylamino)methyl]phenol has a molecular weight of 316.45 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)ethyl]phenol;2-[(dimethylamino)methyl]phenol is sourced from PubChem (CID 174369266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).