2-[cyclobutyl-(2-methoxy-4-pyridinyl)amino]ethanol

C12H18N2O2 — CID 102868917

IUPAC2-[cyclobutyl-(2-methoxy-4-pyridinyl)amino]ethanol
SMILESCOc1cc(N(CCO)C2CCC2)ccn1
InChIInChI=1S/C12H18N2O2/c1-16-12-9-11(5-6-13-12)14(7-8-15)10-3-2-4-10/h5-6,9-10,15H,2-4,7-8H2,1H3
InChIKeyLDCAQERGIXAPAU-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.44
Rot. Bonds5

About 2-[cyclobutyl-(2-methoxy-4-pyridinyl)amino]ethanol

2-[cyclobutyl-(2-methoxy-4-pyridinyl)amino]ethanol (PubChem CID 102868917) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[cyclobutyl-(2-methoxy-4-pyridinyl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-(2-methoxy-4-pyridinyl)amino]ethanol
PubChem CID102868917
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[cyclobutyl-(2-methoxy-4-pyridinyl)amino]ethanol
SMILESCOc1cc(N(CCO)C2CCC2)ccn1
InChIInChI=1S/C12H18N2O2/c1-16-12-9-11(5-6-13-12)14(7-8-15)10-3-2-4-10/h5-6,9-10,15H,2-4,7-8H2,1H3
InChIKeyLDCAQERGIXAPAU-UHFFFAOYSA-N
XLogP1.44
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopentyl-[2-(methylamino)-4-pyridinyl]amino]ethanol
CID 113367679
2-[cyclobutyl-(3-methoxy-2-pyridinyl)amino]ethanol
CID 102869021
5-[(2-methoxy-4-pyridinyl)-methylamino]pentan-1-ol
CID 107203261
[4-[cyclopentyl(ethyl)amino]-2-pyridinyl]methanol
CID 61257275
2-[[4-(aminomethyl)-2-pyridinyl]-cyclohexylamino]ethanol
CID 54994992
2-(4-amino-N-cyclopentyl-3-propoxyanilino)ethanol
CID 63676661
2-(N-cyclobutyl-3-methyl-4-nitroanilino)ethanol
CID 102675216
N-(2-chloroethyl)-N-cyclopentyl-4-methoxypyrimidin-2-amine
CID 63388459
2-(4-amino-N-cyclobutylanilino)ethanol
CID 102859463
4-[cyclopropyl(2-methoxyethyl)amino]pyridine-2-carboxylic acid
CID 61452485
2-(1-aminoethyl)-5-[cyclobutyl(2-hydroxyethyl)amino]phenol
CID 102863464
2-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde
CID 114060030

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-(2-methoxy-4-pyridinyl)amino]ethanol?
The IUPAC name of 2-[cyclobutyl-(2-methoxy-4-pyridinyl)amino]ethanol (CID 102868917) is 2-[cyclobutyl-(2-methoxy-4-pyridinyl)amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-(2-methoxy-4-pyridinyl)amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-(2-methoxy-4-pyridinyl)amino]ethanol is COc1cc(N(CCO)C2CCC2)ccn1.
What is the InChIKey of 2-[cyclobutyl-(2-methoxy-4-pyridinyl)amino]ethanol?
The InChIKey is LDCAQERGIXAPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-16-12-9-11(5-6-13-12)14(7-8-15)10-3-2-4-10/h5-6,9-10,15H,2-4,7-8H2,1H3.
What are the key properties of 2-[cyclobutyl-(2-methoxy-4-pyridinyl)amino]ethanol?
2-[cyclobutyl-(2-methoxy-4-pyridinyl)amino]ethanol has a molecular weight of 222.29 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-(2-methoxy-4-pyridinyl)amino]ethanol is sourced from PubChem (CID 102868917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).