6-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]pyridin-3-ol

C15H18N2O2 — CID 81396851

IUPAC6-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]pyridin-3-ol
SMILESCOc1ccccc1[C@@H](C)NCc1ccc(O)cn1
InChIInChI=1S/C15H18N2O2/c1-11(14-5-3-4-6-15(14)19-2)16-9-12-7-8-13(18)10-17-12/h3-8,10-11,16,18H,9H2,1-2H3/t11-/m1/s1
InChIKeyBTJNVAKOJHBFJZ-LLVKDONJSA-N
MW258.32 g/mol
LogP2.65
Rot. Bonds5

About 6-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]pyridin-3-ol

6-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]pyridin-3-ol (PubChem CID 81396851) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]pyridin-3-ol
PubChem CID81396851
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name6-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]pyridin-3-ol
SMILESCOc1ccccc1[C@@H](C)NCc1ccc(O)cn1
InChIInChI=1S/C15H18N2O2/c1-11(14-5-3-4-6-15(14)19-2)16-9-12-7-8-13(18)10-17-12/h3-8,10-11,16,18H,9H2,1-2H3/t11-/m1/s1
InChIKeyBTJNVAKOJHBFJZ-LLVKDONJSA-N
XLogP2.65
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708293
(1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81396914
(1R)-1-(2-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 81397926
6-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyridin-3-ol
CID 81402421
6-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]pyridin-3-ol
CID 81402144
4-[[1-(2-methoxyphenyl)ethylamino]methyl]benzene-1,3-diol
CID 43202064
(1S)-1-(2-methoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 81397060
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
6-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]pyridin-3-ol
CID 81405183
4-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103257697
6-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol
CID 79781532
4-[[1-(2-ethoxyphenyl)ethylamino]methyl]phenol
CID 115715689

Frequently Asked Questions

What is the IUPAC name of 6-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]pyridin-3-ol?
The IUPAC name of 6-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]pyridin-3-ol (CID 81396851) is 6-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]pyridin-3-ol?
The canonical SMILES for 6-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]pyridin-3-ol is COc1ccccc1[C@@H](C)NCc1ccc(O)cn1.
What is the InChIKey of 6-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]pyridin-3-ol?
The InChIKey is BTJNVAKOJHBFJZ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(14-5-3-4-6-15(14)19-2)16-9-12-7-8-13(18)10-17-12/h3-8,10-11,16,18H,9H2,1-2H3/t11-/m1/s1.
What are the key properties of 6-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]pyridin-3-ol?
6-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]pyridin-3-ol has a molecular weight of 258.32 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]pyridin-3-ol is sourced from PubChem (CID 81396851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).