3-[(3-methyl-1-benzofuran-2-yl)methyl-(pyridin-3-ylmethyl)amino]propan-1-ol

C19H22N2O2 — CID 91836564

IUPAC3-[(3-methyl-1-benzofuran-2-yl)methyl-(pyridin-3-ylmethyl)amino]propan-1-ol
SMILESCc1c(CN(CCCO)Cc2cccnc2)oc2ccccc12
InChIInChI=1S/C19H22N2O2/c1-15-17-7-2-3-8-18(17)23-19(15)14-21(10-5-11-22)13-16-6-4-9-20-12-16/h2-4,6-9,12,22H,5,10-11,13-14H2,1H3
InChIKeyBCAKHSSRCGPOCI-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.52
Rot. Bonds7

About 3-[(3-methyl-1-benzofuran-2-yl)methyl-(pyridin-3-ylmethyl)amino]propan-1-ol

3-[(3-methyl-1-benzofuran-2-yl)methyl-(pyridin-3-ylmethyl)amino]propan-1-ol (PubChem CID 91836564) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-[(3-methyl-1-benzofuran-2-yl)methyl-(pyridin-3-ylmethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(3-methyl-1-benzofuran-2-yl)methyl-(pyridin-3-ylmethyl)amino]propan-1-ol
PubChem CID91836564
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name3-[(3-methyl-1-benzofuran-2-yl)methyl-(pyridin-3-ylmethyl)amino]propan-1-ol
SMILESCc1c(CN(CCCO)Cc2cccnc2)oc2ccccc12
InChIInChI=1S/C19H22N2O2/c1-15-17-7-2-3-8-18(17)23-19(15)14-21(10-5-11-22)13-16-6-4-9-20-12-16/h2-4,6-9,12,22H,5,10-11,13-14H2,1H3
InChIKeyBCAKHSSRCGPOCI-UHFFFAOYSA-N
XLogP3.52
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-1-benzofuran-2-yl)methyl-(pyridin-3-ylmethyl)amino]propan-1-ol?
The IUPAC name of 3-[(3-methyl-1-benzofuran-2-yl)methyl-(pyridin-3-ylmethyl)amino]propan-1-ol (CID 91836564) is 3-[(3-methyl-1-benzofuran-2-yl)methyl-(pyridin-3-ylmethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[(3-methyl-1-benzofuran-2-yl)methyl-(pyridin-3-ylmethyl)amino]propan-1-ol?
The canonical SMILES for 3-[(3-methyl-1-benzofuran-2-yl)methyl-(pyridin-3-ylmethyl)amino]propan-1-ol is Cc1c(CN(CCCO)Cc2cccnc2)oc2ccccc12.
What is the InChIKey of 3-[(3-methyl-1-benzofuran-2-yl)methyl-(pyridin-3-ylmethyl)amino]propan-1-ol?
The InChIKey is BCAKHSSRCGPOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-15-17-7-2-3-8-18(17)23-19(15)14-21(10-5-11-22)13-16-6-4-9-20-12-16/h2-4,6-9,12,22H,5,10-11,13-14H2,1H3.
What are the key properties of 3-[(3-methyl-1-benzofuran-2-yl)methyl-(pyridin-3-ylmethyl)amino]propan-1-ol?
3-[(3-methyl-1-benzofuran-2-yl)methyl-(pyridin-3-ylmethyl)amino]propan-1-ol has a molecular weight of 310.40 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-1-benzofuran-2-yl)methyl-(pyridin-3-ylmethyl)amino]propan-1-ol is sourced from PubChem (CID 91836564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).