2-(1-benzofuran-3-yl)-N-methyl-2-pyridin-3-ylethanamine

C16H16N2O — CID 116824806

IUPAC2-(1-benzofuran-3-yl)-N-methyl-2-pyridin-3-ylethanamine
SMILESCNCC(c1cccnc1)c1coc2ccccc12
InChIInChI=1S/C16H16N2O/c1-17-10-14(12-5-4-8-18-9-12)15-11-19-16-7-3-2-6-13(15)16/h2-9,11,14,17H,10H2,1H3
InChIKeyLMWKMMSALQGSHF-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.18
Rot. Bonds4

About 2-(1-benzofuran-3-yl)-N-methyl-2-pyridin-3-ylethanamine

2-(1-benzofuran-3-yl)-N-methyl-2-pyridin-3-ylethanamine (PubChem CID 116824806) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(1-benzofuran-3-yl)-N-methyl-2-pyridin-3-ylethanamine.

Molecular Properties

Compound Name2-(1-benzofuran-3-yl)-N-methyl-2-pyridin-3-ylethanamine
PubChem CID116824806
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-(1-benzofuran-3-yl)-N-methyl-2-pyridin-3-ylethanamine
SMILESCNCC(c1cccnc1)c1coc2ccccc12
InChIInChI=1S/C16H16N2O/c1-17-10-14(12-5-4-8-18-9-12)15-11-19-16-7-3-2-6-13(15)16/h2-9,11,14,17H,10H2,1H3
InChIKeyLMWKMMSALQGSHF-UHFFFAOYSA-N
XLogP3.18
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-naphthalen-1-yl-2-pyridin-3-ylethanamine
CID 116824810
(1R)-N-(1-benzofuran-3-ylmethyl)-1-pyridin-3-ylethanamine
CID 81404411
N-methyl-2-(4-propan-2-ylphenyl)-2-pyridin-3-ylethanamine
CID 116824741
2-(5-fluoro-2-methoxyphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 116824754
(1S)-2-(methylamino)-1-pyridin-3-ylethanol
CID 10171254
1-(1-benzofuran-3-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
CID 104738663
N-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine
CID 46178830
2-methyl-3-(methylamino)-N-[phenyl(pyridin-3-yl)methyl]propanamide
CID 119875686
2-methyl-N-(2-phenyl-3-pyridin-3-ylpropyl)propan-1-amine
CID 81024756
N-methyl-2-morpholin-4-yl-2-pyridin-3-ylethanamine
CID 44784942
N,3-dimethyl-2-pyridin-3-ylhexan-1-amine
CID 107887227
3-(1-benzofuran-3-yl)-3-(methylamino)propanenitrile
CID 116955216

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-3-yl)-N-methyl-2-pyridin-3-ylethanamine?
The IUPAC name of 2-(1-benzofuran-3-yl)-N-methyl-2-pyridin-3-ylethanamine (CID 116824806) is 2-(1-benzofuran-3-yl)-N-methyl-2-pyridin-3-ylethanamine.
What is the SMILES notation for 2-(1-benzofuran-3-yl)-N-methyl-2-pyridin-3-ylethanamine?
The canonical SMILES for 2-(1-benzofuran-3-yl)-N-methyl-2-pyridin-3-ylethanamine is CNCC(c1cccnc1)c1coc2ccccc12.
What is the InChIKey of 2-(1-benzofuran-3-yl)-N-methyl-2-pyridin-3-ylethanamine?
The InChIKey is LMWKMMSALQGSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-17-10-14(12-5-4-8-18-9-12)15-11-19-16-7-3-2-6-13(15)16/h2-9,11,14,17H,10H2,1H3.
What are the key properties of 2-(1-benzofuran-3-yl)-N-methyl-2-pyridin-3-ylethanamine?
2-(1-benzofuran-3-yl)-N-methyl-2-pyridin-3-ylethanamine has a molecular weight of 252.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-3-yl)-N-methyl-2-pyridin-3-ylethanamine is sourced from PubChem (CID 116824806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).