6-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]pyridin-3-ol

C17H22N2O2 — CID 79782484

IUPAC6-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]pyridin-3-ol
SMILESCC(C)Oc1cccc(C(C)NCc2ccc(O)cn2)c1
InChIInChI=1S/C17H22N2O2/c1-12(2)21-17-6-4-5-14(9-17)13(3)18-10-15-7-8-16(20)11-19-15/h4-9,11-13,18,20H,10H2,1-3H3
InChIKeyLLSXFGPLFVJHFC-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.43
Rot. Bonds6

About 6-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]pyridin-3-ol

6-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]pyridin-3-ol (PubChem CID 79782484) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]pyridin-3-ol
PubChem CID79782484
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name6-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]pyridin-3-ol
SMILESCC(C)Oc1cccc(C(C)NCc2ccc(O)cn2)c1
InChIInChI=1S/C17H22N2O2/c1-12(2)21-17-6-4-5-14(9-17)13(3)18-10-15-7-8-16(20)11-19-15/h4-9,11-13,18,20H,10H2,1-3H3
InChIKeyLLSXFGPLFVJHFC-UHFFFAOYSA-N
XLogP3.43
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]pyridin-3-ol
CID 81405183
2-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]phenol
CID 43694661
2-(5-amino-2-pyridinyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 120622083
N-[(1-methylimidazol-2-yl)methyl]-1-(3-propan-2-yloxyphenyl)ethanamine
CID 62357438
(1R)-1-(3-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81376055
1-[3-(difluoromethoxy)phenyl]-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62759490
6-[(3-butan-2-yloxyanilino)methyl]pyridin-3-ol
CID 79794177
N-[1-(3-propan-2-yloxyphenyl)ethyl]pentan-1-amine
CID 43694615
6-[(2-propan-2-yloxyanilino)methyl]pyridin-3-ol
CID 79782862
6-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]pyridin-3-ol
CID 81396851
(1R)-1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]ethanamine
CID 81381332
N-(2-phenylethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 43694648

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]pyridin-3-ol?
The IUPAC name of 6-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]pyridin-3-ol (CID 79782484) is 6-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]pyridin-3-ol?
The canonical SMILES for 6-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]pyridin-3-ol is CC(C)Oc1cccc(C(C)NCc2ccc(O)cn2)c1.
What is the InChIKey of 6-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]pyridin-3-ol?
The InChIKey is LLSXFGPLFVJHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(2)21-17-6-4-5-14(9-17)13(3)18-10-15-7-8-16(20)11-19-15/h4-9,11-13,18,20H,10H2,1-3H3.
What are the key properties of 6-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]pyridin-3-ol?
6-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]pyridin-3-ol has a molecular weight of 286.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]pyridin-3-ol is sourced from PubChem (CID 79782484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).