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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Related Compounds

N,N-Dimethyl(5-(pyridin-3-YL)furan-2-YL)methanamine
CID 11171679
4-{[6-(2-{2-[(2R)-methylpyrrolidinyl]ethyl}-1-benzofuran-5-yl)-3-pyridinyl]carbonyl}morpholine
CID 44374493
4-(2-Benzofuranyl)pyridine
CID 65590
Inicarone
CID 65811
1-{1-[2-(Hydroxymethyl)phenyl]-7-Phenoxyindolizin-3-Yl}ethanone
CID 70680608
(-)-Dimethyl-{2-[3-((R)-1-pyridin-2-yl-ethyl)-benzofuran-2-yl]-ethyl}-amine
CID 44247935
3-Benzofuran-2-yl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 44371989
2-[1-[(5-Methyl-2-furyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol
CID 16189959
2-(2-(4-(1-(furan-2-ylmethyl)-1H-indol-3-yl)piperidin-1-yl)ethoxy)benzoic acid
CID 10138404
3-[4-(1-furan-2-ylmethyl-1H-indol-3-yl)piperidin-1-ylmethyl]benzoic acid
CID 10273238
3-(Benzofuran-2-ylmethylene)anabaseine
CID 10338609
1,1,1-Trifluoro-4-(5-fluoro-2-methoxyphenyl)-2-furo[2,3-c]pyridin-2-ylmethyl-4-methylpentan-2-ol
CID 11269886

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).