N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine

C16H22N2O — CID 103859053

IUPACN-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
SMILESCc1oc2ccccc2c1CNCC1CCCN1C
InChIInChI=1S/C16H22N2O/c1-12-15(14-7-3-4-8-16(14)19-12)11-17-10-13-6-5-9-18(13)2/h3-4,7-8,13,17H,5-6,9-11H2,1-2H3
InChIKeyFNXSWOBJXGHHBW-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.93
Rot. Bonds4

About N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine

N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine (PubChem CID 103859053) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
PubChem CID103859053
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
SMILESCc1oc2ccccc2c1CNCC1CCCN1C
InChIInChI=1S/C16H22N2O/c1-12-15(14-7-3-4-8-16(14)19-12)11-17-10-13-6-5-9-18(13)2/h3-4,7-8,13,17H,5-6,9-11H2,1-2H3
InChIKeyFNXSWOBJXGHHBW-UHFFFAOYSA-N
XLogP2.93
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methylbenzofuran, 26
CID 25138263
2-Isopropylbenzofuran, 27
CID 25138264
1-[3-(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)phenyl]ethanone
CID 9884652
1-[3-(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)phenyl]-1-propanone
CID 11394346
2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-carbonitrile
CID 11608543
CID 12499516
CID 12499516
5-(1-benzofuran-2-ylmethyl)-4,5-dihydro-1H-imidazole
CID 12981870
5-[(5-fluoro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole
CID 23292309
N-benzyl-3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methylpropan-1-amine
CID 118724298
3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N-methyl-N-(2-phenylethyl)propan-1-amine
CID 118724306
2-[3-(1,3-dihydroisoindol-2-yl)propyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine
CID 118724314
N-[2-(dimethylamino)ethyl]dibenzofuran-4-carboxamide
CID 183401

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine?
The IUPAC name of N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine (CID 103859053) is N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine?
The canonical SMILES for N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine is Cc1oc2ccccc2c1CNCC1CCCN1C.
What is the InChIKey of N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine?
The InChIKey is FNXSWOBJXGHHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-15(14-7-3-4-8-16(14)19-12)11-17-10-13-6-5-9-18(13)2/h3-4,7-8,13,17H,5-6,9-11H2,1-2H3.
What are the key properties of N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine?
N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine has a molecular weight of 258.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 103859053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).