2-(N-ethyl-3-methylanilino)-1-pyridin-3-ylethanol

C16H20N2O — CID 82216494

IUPAC2-(N-ethyl-3-methylanilino)-1-pyridin-3-ylethanol
SMILESCCN(CC(O)c1cccnc1)c1cccc(C)c1
InChIInChI=1S/C16H20N2O/c1-3-18(15-8-4-6-13(2)10-15)12-16(19)14-7-5-9-17-11-14/h4-11,16,19H,3,12H2,1-2H3
InChIKeyXSIJNPYROIHXPB-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.95
Rot. Bonds5

About 2-(N-ethyl-3-methylanilino)-1-pyridin-3-ylethanol

2-(N-ethyl-3-methylanilino)-1-pyridin-3-ylethanol (PubChem CID 82216494) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(N-ethyl-3-methylanilino)-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name2-(N-ethyl-3-methylanilino)-1-pyridin-3-ylethanol
PubChem CID82216494
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-(N-ethyl-3-methylanilino)-1-pyridin-3-ylethanol
SMILESCCN(CC(O)c1cccnc1)c1cccc(C)c1
InChIInChI=1S/C16H20N2O/c1-3-18(15-8-4-6-13(2)10-15)12-16(19)14-7-5-9-17-11-14/h4-11,16,19H,3,12H2,1-2H3
InChIKeyXSIJNPYROIHXPB-UHFFFAOYSA-N
XLogP2.95
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62619514
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CID 82216584
2-(dipropylamino)-1-pyridin-3-ylethanol
CID 82216469
2-(dibutylamino)-1-pyridin-3-ylethanol
CID 82216499
N-(3-bromo-2-phenylpropyl)-N-ethyl-3-methylaniline
CID 65016452
N'-ethyl-N'-(3-methylphenyl)-N-pyridin-3-yloxamide
CID 108526043
1-(N-ethyl-3-methylanilino)-3-[4-[3-(N-ethyl-3-methylanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 19133401
1-(N-ethyl-3-methylanilino)-4,4-dimethylpentan-3-ol
CID 62623748
1-(N-ethyl-3-methylanilino)propan-2-yl hydrogen sulfite
CID 91035286
2-amino-1-[3-(diethylamino)phenyl]ethanol
CID 117297990
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
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ethane;2-(N-ethyl-3-methylanilino)ethanol
CID 142945476

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-3-methylanilino)-1-pyridin-3-ylethanol?
The IUPAC name of 2-(N-ethyl-3-methylanilino)-1-pyridin-3-ylethanol (CID 82216494) is 2-(N-ethyl-3-methylanilino)-1-pyridin-3-ylethanol.
What is the SMILES notation for 2-(N-ethyl-3-methylanilino)-1-pyridin-3-ylethanol?
The canonical SMILES for 2-(N-ethyl-3-methylanilino)-1-pyridin-3-ylethanol is CCN(CC(O)c1cccnc1)c1cccc(C)c1.
What is the InChIKey of 2-(N-ethyl-3-methylanilino)-1-pyridin-3-ylethanol?
The InChIKey is XSIJNPYROIHXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-18(15-8-4-6-13(2)10-15)12-16(19)14-7-5-9-17-11-14/h4-11,16,19H,3,12H2,1-2H3.
What are the key properties of 2-(N-ethyl-3-methylanilino)-1-pyridin-3-ylethanol?
2-(N-ethyl-3-methylanilino)-1-pyridin-3-ylethanol has a molecular weight of 256.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-3-methylanilino)-1-pyridin-3-ylethanol is sourced from PubChem (CID 82216494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).