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

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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).