3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methyl-N-(2-phenylethyl)propan-1-amine

C23H28N2O — CID 118724306

IUPAC3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methyl-N-(2-phenylethyl)propan-1-amine
SMILESCN(CCCN1CCc2oc3ccccc3c2C1)CCc1ccccc1
InChIInChI=1S/C23H28N2O/c1-24(16-12-19-8-3-2-4-9-19)14-7-15-25-17-13-23-21(18-25)20-10-5-6-11-22(20)26-23/h2-6,8-11H,7,12-18H2,1H3
InChIKeyFISMYRQXBFPFIR-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.36
Rot. Bonds7

About 3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methyl-N-(2-phenylethyl)propan-1-amine

3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methyl-N-(2-phenylethyl)propan-1-amine (PubChem CID 118724306) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methyl-N-(2-phenylethyl)propan-1-amine.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methyl-N-(2-phenylethyl)propan-1-amine
PubChem CID118724306
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methyl-N-(2-phenylethyl)propan-1-amine
SMILESCN(CCCN1CCc2oc3ccccc3c2C1)CCc1ccccc1
InChIInChI=1S/C23H28N2O/c1-24(16-12-19-8-3-2-4-9-19)14-7-15-25-17-13-23-21(18-25)20-10-5-6-11-22(20)26-23/h2-6,8-11H,7,12-18H2,1H3
InChIKeyFISMYRQXBFPFIR-UHFFFAOYSA-N
XLogP4.36
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methyl-N-(2-phenylethyl)propan-1-amine with MolForge

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Related Compounds

1-[3-(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)phenyl]ethanone
CID 9884652
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CID 11394346
Racemic 4-(benzo[b]furan-2-yl)-2-methyl-1,2,3,4-tetrahydroisoquinoline
CID 68993987
4-Methyl-1,2,3,4-tetrahydro[1]benzofuro[3,2-c]pyridine
CID 12499516
3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-2,6-dimethylpyrido[1,2-a]pyrimidin-4-one
CID 44376923
3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-2,6,8-trimethylpyrido[1,2-a]pyrimidin-4-one
CID 44376954
N-((Benzofuran-2-yl)methyl)-N''-(4''-methoxybenzyl)piperazine
CID 46914487
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CID 46914771
1-(1-Benzofuran-3-ylmethyl)-4-(4-iodophenyl)piperidin-4-ol;oxalic acid
CID 49798836
(E)-N-(1-benzofuran-7-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine;hydrochloride
CID 127051177
(E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-3-(4-phenylphenyl)prop-2-en-1-amine;hydrochloride
CID 137643139
N-((Benzofuran-2-yl)methyl)-N''-benzylpiperazine
CID 5009938

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methyl-N-(2-phenylethyl)propan-1-amine?
The IUPAC name of 3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methyl-N-(2-phenylethyl)propan-1-amine (CID 118724306) is 3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methyl-N-(2-phenylethyl)propan-1-amine.
What is the SMILES notation for 3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methyl-N-(2-phenylethyl)propan-1-amine?
The canonical SMILES for 3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methyl-N-(2-phenylethyl)propan-1-amine is CN(CCCN1CCc2oc3ccccc3c2C1)CCc1ccccc1.
What is the InChIKey of 3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methyl-N-(2-phenylethyl)propan-1-amine?
The InChIKey is FISMYRQXBFPFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-24(16-12-19-8-3-2-4-9-19)14-7-15-25-17-13-23-21(18-25)20-10-5-6-11-22(20)26-23/h2-6,8-11H,7,12-18H2,1H3.
What are the key properties of 3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methyl-N-(2-phenylethyl)propan-1-amine?
3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methyl-N-(2-phenylethyl)propan-1-amine has a molecular weight of 348.49 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methyl-N-(2-phenylethyl)propan-1-amine is sourced from PubChem (CID 118724306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).