1-methoxy-4-[(4-methyl-2-pyridinyl)amino]butan-2-ol

C11H18N2O2 — CID 103875647

IUPAC1-methoxy-4-[(4-methyl-2-pyridinyl)amino]butan-2-ol
SMILESCOCC(O)CCNc1cc(C)ccn1
InChIInChI=1S/C11H18N2O2/c1-9-3-5-12-11(7-9)13-6-4-10(14)8-15-2/h3,5,7,10,14H,4,6,8H2,1-2H3,(H,12,13)
InChIKeyYOQKVEIMMFCOCQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.20
Rot. Bonds6

About 1-methoxy-4-[(4-methyl-2-pyridinyl)amino]butan-2-ol

1-methoxy-4-[(4-methyl-2-pyridinyl)amino]butan-2-ol (PubChem CID 103875647) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-methoxy-4-[(4-methyl-2-pyridinyl)amino]butan-2-ol.

Molecular Properties

Compound Name1-methoxy-4-[(4-methyl-2-pyridinyl)amino]butan-2-ol
PubChem CID103875647
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-methoxy-4-[(4-methyl-2-pyridinyl)amino]butan-2-ol
SMILESCOCC(O)CCNc1cc(C)ccn1
InChIInChI=1S/C11H18N2O2/c1-9-3-5-12-11(7-9)13-6-4-10(14)8-15-2/h3,5,7,10,14H,4,6,8H2,1-2H3,(H,12,13)
InChIKeyYOQKVEIMMFCOCQ-UHFFFAOYSA-N
XLogP1.20
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyridin-2-amine
CID 103081298
4-[(6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106248398
4-(2-amino-5-methylanilino)-1-methoxybutan-2-ol
CID 106243145
2-[(3-hydroxy-4-methoxybutyl)amino]-4-methylpyridine-3-carboxylic acid
CID 114163853
N-(4-methoxybutan-2-yl)-4-methylpyridin-2-amine
CID 64604062
methyl 5-[(4-methyl-2-pyridinyl)amino]pentanoate
CID 162756210
4-methyl-N-(3-propoxypropyl)pyridin-2-amine
CID 82943413
N-(4-methyl-2-pyridinyl)-N'-pentan-2-ylethane-1,2-diamine
CID 142941016
1-methoxy-4-[(4-propoxypyrimidin-2-yl)amino]butan-2-ol
CID 106248135
4-[(3-amino-2-pyridinyl)amino]-1-methoxybutan-2-ol
CID 106243050
N-(4-chlorobutyl)-4-methylpyridin-2-amine
CID 106845034
1-methoxy-4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]butan-2-ol
CID 133415348

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(4-methyl-2-pyridinyl)amino]butan-2-ol?
The IUPAC name of 1-methoxy-4-[(4-methyl-2-pyridinyl)amino]butan-2-ol (CID 103875647) is 1-methoxy-4-[(4-methyl-2-pyridinyl)amino]butan-2-ol.
What is the SMILES notation for 1-methoxy-4-[(4-methyl-2-pyridinyl)amino]butan-2-ol?
The canonical SMILES for 1-methoxy-4-[(4-methyl-2-pyridinyl)amino]butan-2-ol is COCC(O)CCNc1cc(C)ccn1.
What is the InChIKey of 1-methoxy-4-[(4-methyl-2-pyridinyl)amino]butan-2-ol?
The InChIKey is YOQKVEIMMFCOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9-3-5-12-11(7-9)13-6-4-10(14)8-15-2/h3,5,7,10,14H,4,6,8H2,1-2H3,(H,12,13).
What are the key properties of 1-methoxy-4-[(4-methyl-2-pyridinyl)amino]butan-2-ol?
1-methoxy-4-[(4-methyl-2-pyridinyl)amino]butan-2-ol has a molecular weight of 210.28 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(4-methyl-2-pyridinyl)amino]butan-2-ol is sourced from PubChem (CID 103875647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).