2-[[[(1S)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]amino]methyl]pyridin-3-ol

C19H22N2O2 — CID 164628408

IUPAC2-[[[(1S)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]amino]methyl]pyridin-3-ol
SMILESCc1c([C@@H](NCc2ncccc2O)C(C)C)oc2ccccc12
InChIInChI=1S/C19H22N2O2/c1-12(2)18(21-11-15-16(22)8-6-10-20-15)19-13(3)14-7-4-5-9-17(14)23-19/h4-10,12,18,21-22H,11H2,1-3H3/t18-/m0/s1
InChIKeyDACBLKDOWYCBJD-SFHVURJKSA-N
MW310.40 g/mol
LogP4.33
Rot. Bonds5

About 2-[[[(1S)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]amino]methyl]pyridin-3-ol

2-[[[(1S)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]amino]methyl]pyridin-3-ol (PubChem CID 164628408) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[[[(1S)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]amino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name2-[[[(1S)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]amino]methyl]pyridin-3-ol
PubChem CID164628408
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-[[[(1S)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]amino]methyl]pyridin-3-ol
SMILESCc1c([C@@H](NCc2ncccc2O)C(C)C)oc2ccccc12
InChIInChI=1S/C19H22N2O2/c1-12(2)18(21-11-15-16(22)8-6-10-20-15)19-13(3)14-7-4-5-9-17(14)23-19/h4-10,12,18,21-22H,11H2,1-3H3/t18-/m0/s1
InChIKeyDACBLKDOWYCBJD-SFHVURJKSA-N
XLogP4.33
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[[(1S)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]amino]methyl]pyridin-3-ol with MolForge

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Related Compounds

N-[2-furanyl-(8-hydroxy-7-quinolinyl)methyl]-2-methylpropanamide
CID 2876959
Furan-2-carboxamide deriv., 24
CID 44236907
(-)-Dimethyl-{2-[3-((R)-1-pyridin-2-yl-ethyl)-benzofuran-2-yl]-ethyl}-amine
CID 44247935
N-[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 2876915
1-((6-(5-Cyclohexylbenzofuran-2-yl)pyridin-3-yl)methyl)azetidine-3-carboxylic acid
CID 16737509
4-[[3,4-bis(oxidanylidene)-2-[[(1~{R})-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-~{N},~{N}-dimethyl-3-oxidanyl-pyridine-2-carboxamide
CID 153466996
2-(4-benzhydrylpiperazin-1-yl)-2-(1-benzofuran-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 44535545
1-(1-benzofuran-2-ylmethyl)-N-[4-(3-pyridinyloxy)phenyl]-4-piperidinecarboxamide
CID 45177219
3-[(4-hydroxyphenyl)methyl]-1-pyridin-2-yl-2H-chromeno[2,3-c]pyrrol-9-one
CID 137658794
2-(4-methoxy-1H-indol-3-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine
CID 155511424
N-(6-methoxypyridin-3-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 16267800
3-methyl-N-[1-(pyridin-4-yl)ethyl]-1-benzofuran-2-carboxamide
CID 2971285

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1S)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]amino]methyl]pyridin-3-ol?
The IUPAC name of 2-[[[(1S)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]amino]methyl]pyridin-3-ol (CID 164628408) is 2-[[[(1S)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]amino]methyl]pyridin-3-ol.
What is the SMILES notation for 2-[[[(1S)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]amino]methyl]pyridin-3-ol?
The canonical SMILES for 2-[[[(1S)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]amino]methyl]pyridin-3-ol is Cc1c([C@@H](NCc2ncccc2O)C(C)C)oc2ccccc12.
What is the InChIKey of 2-[[[(1S)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]amino]methyl]pyridin-3-ol?
The InChIKey is DACBLKDOWYCBJD-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-12(2)18(21-11-15-16(22)8-6-10-20-15)19-13(3)14-7-4-5-9-17(14)23-19/h4-10,12,18,21-22H,11H2,1-3H3/t18-/m0/s1.
What are the key properties of 2-[[[(1S)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]amino]methyl]pyridin-3-ol?
2-[[[(1S)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]amino]methyl]pyridin-3-ol has a molecular weight of 310.40 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1S)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]amino]methyl]pyridin-3-ol is sourced from PubChem (CID 164628408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).