3-methyl-1-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]butan-2-ol

C18H24N2O2 — CID 111422039

IUPAC3-methyl-1-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]butan-2-ol
SMILESCC(C)C(O)CNCc1ccccc1OCc1cccnc1
InChIInChI=1S/C18H24N2O2/c1-14(2)17(21)12-20-11-16-7-3-4-8-18(16)22-13-15-6-5-9-19-10-15/h3-10,14,17,20-21H,11-13H2,1-2H3
InChIKeyHYIMDZVIIQESHL-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.77
Rot. Bonds8

About 3-methyl-1-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]butan-2-ol

3-methyl-1-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]butan-2-ol (PubChem CID 111422039) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-methyl-1-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]butan-2-ol
PubChem CID111422039
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-methyl-1-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]butan-2-ol
SMILESCC(C)C(O)CNCc1ccccc1OCc1cccnc1
InChIInChI=1S/C18H24N2O2/c1-14(2)17(21)12-20-11-16-7-3-4-8-18(16)22-13-15-6-5-9-19-10-15/h3-10,14,17,20-21H,11-13H2,1-2H3
InChIKeyHYIMDZVIIQESHL-UHFFFAOYSA-N
XLogP2.77
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]ethanol
CID 111421639
N-methyl-N-[[2-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]phenyl]methyl]propan-2-amine
CID 119111085
3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-1-ol
CID 110929258
2-(4-ethylpiperazin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 119111201
2-ethyl-2-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]butanoic acid
CID 122129096
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine;dihydrochloride
CID 17054248
4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol
CID 120963153
1-[[2-(cyclopropylmethoxy)phenyl]methylamino]-3-methylbutan-2-ol
CID 111421969
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
2-methyl-N-[[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-1-amine
CID 102880419
3-[(2-benzylphenoxy)methyl]pyridine
CID 112814185
(2S)-1-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 29186334

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]butan-2-ol?
The IUPAC name of 3-methyl-1-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]butan-2-ol (CID 111422039) is 3-methyl-1-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]butan-2-ol.
What is the SMILES notation for 3-methyl-1-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]butan-2-ol?
The canonical SMILES for 3-methyl-1-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]butan-2-ol is CC(C)C(O)CNCc1ccccc1OCc1cccnc1.
What is the InChIKey of 3-methyl-1-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]butan-2-ol?
The InChIKey is HYIMDZVIIQESHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-14(2)17(21)12-20-11-16-7-3-4-8-18(16)22-13-15-6-5-9-19-10-15/h3-10,14,17,20-21H,11-13H2,1-2H3.
What are the key properties of 3-methyl-1-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]butan-2-ol?
3-methyl-1-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]butan-2-ol has a molecular weight of 300.40 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]butan-2-ol is sourced from PubChem (CID 111422039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).