2-anilino-2-(2,4-dimethoxyphenyl)ethanol

C16H19NO3 — CID 61047149

IUPAC2-anilino-2-(2,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc(C(CO)Nc2ccccc2)c(OC)c1
InChIInChI=1S/C16H19NO3/c1-19-13-8-9-14(16(10-13)20-2)15(11-18)17-12-6-4-3-5-7-12/h3-10,15,17-18H,11H2,1-2H3
InChIKeyHHMMOAQVCTZTOO-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.85
Rot. Bonds6

About 2-anilino-2-(2,4-dimethoxyphenyl)ethanol

2-anilino-2-(2,4-dimethoxyphenyl)ethanol (PubChem CID 61047149) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-anilino-2-(2,4-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-anilino-2-(2,4-dimethoxyphenyl)ethanol
PubChem CID61047149
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-anilino-2-(2,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc(C(CO)Nc2ccccc2)c(OC)c1
InChIInChI=1S/C16H19NO3/c1-19-13-8-9-14(16(10-13)20-2)15(11-18)17-12-6-4-3-5-7-12/h3-10,15,17-18H,11H2,1-2H3
InChIKeyHHMMOAQVCTZTOO-UHFFFAOYSA-N
XLogP2.85
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromoanilino)-2-(2,5-dimethoxyphenyl)ethanol
CID 61048862
2-[2-(diethylamino)ethylamino]-2-(2,4-dimethoxyphenyl)ethanol
CID 61048021
2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)ethanol
CID 61056168
4-(2,4-dimethoxyphenyl)-4-(methylamino)butan-1-ol
CID 116952940
1-(2,4-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 43483666
2-(2,4-dichlorophenyl)-2-(4-methoxyanilino)ethanol
CID 61044772
[3-[1-(2,4-dimethoxyphenyl)ethylamino]phenyl]methanol
CID 43715117
2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride
CID 162344444
(1R)-N-[1-(2,4-dimethoxyphenyl)ethyl]-1-phenylethanamine
CID 81350448
(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
CID 93079729
1-(2,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377102
2-anilino-2-(2,5-dimethylphenyl)ethanol
CID 54977554

Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-(2,4-dimethoxyphenyl)ethanol?
The IUPAC name of 2-anilino-2-(2,4-dimethoxyphenyl)ethanol (CID 61047149) is 2-anilino-2-(2,4-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-anilino-2-(2,4-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-anilino-2-(2,4-dimethoxyphenyl)ethanol is COc1ccc(C(CO)Nc2ccccc2)c(OC)c1.
What is the InChIKey of 2-anilino-2-(2,4-dimethoxyphenyl)ethanol?
The InChIKey is HHMMOAQVCTZTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-19-13-8-9-14(16(10-13)20-2)15(11-18)17-12-6-4-3-5-7-12/h3-10,15,17-18H,11H2,1-2H3.
What are the key properties of 2-anilino-2-(2,4-dimethoxyphenyl)ethanol?
2-anilino-2-(2,4-dimethoxyphenyl)ethanol has a molecular weight of 273.33 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-(2,4-dimethoxyphenyl)ethanol is sourced from PubChem (CID 61047149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).