4-[[6-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]butan-2-ol

C14H24N2O2 — CID 113398862

IUPAC4-[[6-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]butan-2-ol
SMILESCC(C)CNCc1ccc(OCCC(C)O)cn1
InChIInChI=1S/C14H24N2O2/c1-11(2)8-15-9-13-4-5-14(10-16-13)18-7-6-12(3)17/h4-5,10-12,15,17H,6-9H2,1-3H3
InChIKeyKMMIUJLRGHKCJP-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.98
Rot. Bonds8

About 4-[[6-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]butan-2-ol

4-[[6-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]butan-2-ol (PubChem CID 113398862) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-[[6-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]butan-2-ol.

Molecular Properties

Compound Name4-[[6-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]butan-2-ol
PubChem CID113398862
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name4-[[6-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]butan-2-ol
SMILESCC(C)CNCc1ccc(OCCC(C)O)cn1
InChIInChI=1S/C14H24N2O2/c1-11(2)8-15-9-13-4-5-14(10-16-13)18-7-6-12(3)17/h4-5,10-12,15,17H,6-9H2,1-3H3
InChIKeyKMMIUJLRGHKCJP-UHFFFAOYSA-N
XLogP1.98
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[6-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]butan-2-ol with MolForge

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Related Compounds

N-[[5-(3-ethoxypropoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79794906
N-[[5-(3-methoxy-3-methylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 103032855
N-[[5-(1-methoxypropan-2-yloxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79794727
2-methyl-N-[[5-(2-pyrazol-1-ylethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79793929
N-cyclopropyl-3-[[6-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]propanamide
CID 79788776
N-ethyl-2-[[6-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]acetamide
CID 79793839
2-methyl-N-[[5-(3-methylbutoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79794003
2-methyl-N-[[5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79793744
N-[[5-(3,5-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79788749
2-methyl-N-[[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79794903
2-methyl-N-[[5-[(5-methyloxolan-2-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 103133309
2-methyl-N-[[5-(oxolan-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79794373

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]butan-2-ol?
The IUPAC name of 4-[[6-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]butan-2-ol (CID 113398862) is 4-[[6-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]butan-2-ol.
What is the SMILES notation for 4-[[6-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]butan-2-ol?
The canonical SMILES for 4-[[6-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]butan-2-ol is CC(C)CNCc1ccc(OCCC(C)O)cn1.
What is the InChIKey of 4-[[6-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]butan-2-ol?
The InChIKey is KMMIUJLRGHKCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11(2)8-15-9-13-4-5-14(10-16-13)18-7-6-12(3)17/h4-5,10-12,15,17H,6-9H2,1-3H3.
What are the key properties of 4-[[6-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]butan-2-ol?
4-[[6-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]butan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]butan-2-ol is sourced from PubChem (CID 113398862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).