2-(N-methyl-2-propan-2-ylanilino)ethanol

C12H19NO — CID 22718340

IUPAC2-(N-methyl-2-propan-2-ylanilino)ethanol
SMILESCC(C)c1ccccc1N(C)CCO
InChIInChI=1S/C12H19NO/c1-10(2)11-6-4-5-7-12(11)13(3)8-9-14/h4-7,10,14H,8-9H2,1-3H3
InChIKeyYTJFEYODPIJIPU-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.24
Rot. Bonds4

About 2-(N-methyl-2-propan-2-ylanilino)ethanol

2-(N-methyl-2-propan-2-ylanilino)ethanol (PubChem CID 22718340) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(N-methyl-2-propan-2-ylanilino)ethanol.

Molecular Properties

Compound Name2-(N-methyl-2-propan-2-ylanilino)ethanol
PubChem CID22718340
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(N-methyl-2-propan-2-ylanilino)ethanol
SMILESCC(C)c1ccccc1N(C)CCO
InChIInChI=1S/C12H19NO/c1-10(2)11-6-4-5-7-12(11)13(3)8-9-14/h4-7,10,14H,8-9H2,1-3H3
InChIKeyYTJFEYODPIJIPU-UHFFFAOYSA-N
XLogP2.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-N'-(2-propan-2-ylphenyl)propane-1,3-diamine
CID 28772740
2-[(1R)-1-aminoethyl]-N-methyl-N-propylaniline
CID 78936089
4-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]butan-2-ol
CID 104869306
(1R)-1-[2-[3-(dimethylamino)propyl-methylamino]phenyl]ethanol
CID 78948192
N'-[2-(1-aminoethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694909
(1S)-1-[2-[methyl(pentyl)amino]phenyl]ethanol
CID 63370824
(1S)-1-[2-[methyl(2-phenylethyl)amino]phenyl]ethanol
CID 65486288
2-[(1R)-1-aminoethyl]-N-methyl-N-(2-phenylethyl)aniline
CID 79009081
1-[2-[(1S)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 63368989
1-[2-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 78935252
2-[2-[2-hydroxyethyl(methyl)amino]phenyl]acetic acid
CID 83820596
3-[2-(1-aminoethyl)-N-methylanilino]propanenitrile
CID 43188866

Frequently Asked Questions

What is the IUPAC name of 2-(N-methyl-2-propan-2-ylanilino)ethanol?
The IUPAC name of 2-(N-methyl-2-propan-2-ylanilino)ethanol (CID 22718340) is 2-(N-methyl-2-propan-2-ylanilino)ethanol.
What is the SMILES notation for 2-(N-methyl-2-propan-2-ylanilino)ethanol?
The canonical SMILES for 2-(N-methyl-2-propan-2-ylanilino)ethanol is CC(C)c1ccccc1N(C)CCO.
What is the InChIKey of 2-(N-methyl-2-propan-2-ylanilino)ethanol?
The InChIKey is YTJFEYODPIJIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10(2)11-6-4-5-7-12(11)13(3)8-9-14/h4-7,10,14H,8-9H2,1-3H3.
What are the key properties of 2-(N-methyl-2-propan-2-ylanilino)ethanol?
2-(N-methyl-2-propan-2-ylanilino)ethanol has a molecular weight of 193.29 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methyl-2-propan-2-ylanilino)ethanol is sourced from PubChem (CID 22718340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).