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

C18H24N2O2 — CID 111448684

IUPAC2-methyl-3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]butan-1-ol
SMILESCC(CO)C(C)NCc1ccccc1OCc1ccccn1
InChIInChI=1S/C18H24N2O2/c1-14(12-21)15(2)20-11-16-7-3-4-9-18(16)22-13-17-8-5-6-10-19-17/h3-10,14-15,20-21H,11-13H2,1-2H3
InChIKeyBHWMNAZMFFVEFU-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.77
Rot. Bonds8

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

2-methyl-3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]butan-1-ol (PubChem CID 111448684) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-methyl-3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]butan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]butan-1-ol
PubChem CID111448684
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-methyl-3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]butan-1-ol
SMILESCC(CO)C(C)NCc1ccccc1OCc1ccccn1
InChIInChI=1S/C18H24N2O2/c1-14(12-21)15(2)20-11-16-7-3-4-9-18(16)22-13-17-8-5-6-10-19-17/h3-10,14-15,20-21H,11-13H2,1-2H3
InChIKeyBHWMNAZMFFVEFU-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

(2S,3R)-3-pyrazol-1-yl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]butan-2-amine
CID 95280025
3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-1-ol
CID 110883598
(2S,3S)-3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine
CID 28618020
3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine
CID 43201494
N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43276444
2-methyl-3-(quinolin-8-ylmethylamino)butan-1-ol
CID 115644489
2-ethyl-2-[[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]methyl]butanoic acid
CID 122129162
2-methyl-3-(2-methylimidazol-1-yl)-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 119122449
4-[2-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]phenol
CID 119122680
2-(pyridin-2-ylmethoxy)benzenethiol
CID 146174195
[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methanol
CID 43471608
1-(2-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 39358305

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]butan-1-ol?
The IUPAC name of 2-methyl-3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]butan-1-ol (CID 111448684) is 2-methyl-3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]butan-1-ol.
What is the SMILES notation for 2-methyl-3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]butan-1-ol?
The canonical SMILES for 2-methyl-3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]butan-1-ol is CC(CO)C(C)NCc1ccccc1OCc1ccccn1.
What is the InChIKey of 2-methyl-3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]butan-1-ol?
The InChIKey is BHWMNAZMFFVEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-14(12-21)15(2)20-11-16-7-3-4-9-18(16)22-13-17-8-5-6-10-19-17/h3-10,14-15,20-21H,11-13H2,1-2H3.
What are the key properties of 2-methyl-3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]butan-1-ol?
2-methyl-3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]butan-1-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 2-methyl-3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]butan-1-ol is sourced from PubChem (CID 111448684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).