2-[4-(diethylamino)-2-methylanilino]ethanol

C13H22N2O — CID 67897103

IUPAC2-[4-(diethylamino)-2-methylanilino]ethanol
SMILESCCN(CC)c1ccc(NCCO)c(C)c1
InChIInChI=1S/C13H22N2O/c1-4-15(5-2)12-6-7-13(11(3)10-12)14-8-9-16/h6-7,10,14,16H,4-5,8-9H2,1-3H3
InChIKeyDVCCAPIPVSQUBK-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.25
Rot. Bonds6

About 2-[4-(diethylamino)-2-methylanilino]ethanol

2-[4-(diethylamino)-2-methylanilino]ethanol (PubChem CID 67897103) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[4-(diethylamino)-2-methylanilino]ethanol.

Molecular Properties

Compound Name2-[4-(diethylamino)-2-methylanilino]ethanol
PubChem CID67897103
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[4-(diethylamino)-2-methylanilino]ethanol
SMILESCCN(CC)c1ccc(NCCO)c(C)c1
InChIInChI=1S/C13H22N2O/c1-4-15(5-2)12-6-7-13(11(3)10-12)14-8-9-16/h6-7,10,14,16H,4-5,8-9H2,1-3H3
InChIKeyDVCCAPIPVSQUBK-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-3-[4-(diethylamino)-2-methylanilino]propanamide
CID 109031413
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
2-[4-(diethylamino)-2-methylanilino]-1-(1H-indol-3-yl)ethanone
CID 110655324
N-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylanilino]propanamide
CID 109038169
3-[4-(diethylamino)-2-methylanilino]-N-(2,3-dimethylphenyl)propanamide
CID 109036004
2-[4-(diethylamino)-2-methylanilino]-N-[2-(dimethylamino)ethyl]acetamide
CID 108994734
N'-[4-(diethylamino)-2-methylphenyl]-N-(5-hydroxypentyl)oxamide
CID 108525861
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
ethyl 4-[3-[4-(diethylamino)-2-methylanilino]propanoyl]piperazine-1-carboxylate
CID 109029114
3-[4-(diethylamino)-2-methylanilino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109040830
N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethylanilino)acetamide
CID 109007443
N'-[4-(diethylamino)-2-methylphenyl]-N-(3,4-dimethylphenyl)oxamide
CID 108523171

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)-2-methylanilino]ethanol?
The IUPAC name of 2-[4-(diethylamino)-2-methylanilino]ethanol (CID 67897103) is 2-[4-(diethylamino)-2-methylanilino]ethanol.
What is the SMILES notation for 2-[4-(diethylamino)-2-methylanilino]ethanol?
The canonical SMILES for 2-[4-(diethylamino)-2-methylanilino]ethanol is CCN(CC)c1ccc(NCCO)c(C)c1.
What is the InChIKey of 2-[4-(diethylamino)-2-methylanilino]ethanol?
The InChIKey is DVCCAPIPVSQUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-15(5-2)12-6-7-13(11(3)10-12)14-8-9-16/h6-7,10,14,16H,4-5,8-9H2,1-3H3.
What are the key properties of 2-[4-(diethylamino)-2-methylanilino]ethanol?
2-[4-(diethylamino)-2-methylanilino]ethanol has a molecular weight of 222.33 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)-2-methylanilino]ethanol is sourced from PubChem (CID 67897103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).