[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpyrrol-3-yl]methanamine

C15H18N2O — CID 114195982

IUPAC[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpyrrol-3-yl]methanamine
SMILESCc1c(CN)ccn1CC1Cc2ccccc2O1
InChIInChI=1S/C15H18N2O/c1-11-13(9-16)6-7-17(11)10-14-8-12-4-2-3-5-15(12)18-14/h2-7,14H,8-10,16H2,1H3
InChIKeyIAFNVSCLZUCWHA-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.26
Rot. Bonds3

About [1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpyrrol-3-yl]methanamine

[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpyrrol-3-yl]methanamine (PubChem CID 114195982) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is [1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpyrrol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpyrrol-3-yl]methanamine
PubChem CID114195982
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpyrrol-3-yl]methanamine
SMILESCc1c(CN)ccn1CC1Cc2ccccc2O1
InChIInChI=1S/C15H18N2O/c1-11-13(9-16)6-7-17(11)10-14-8-12-4-2-3-5-15(12)18-14/h2-7,14H,8-10,16H2,1H3
InChIKeyIAFNVSCLZUCWHA-UHFFFAOYSA-N
XLogP2.26
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylindole
CID 116623048
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-2-amine
CID 106569539
[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indol-4-yl]methanol
CID 66364392
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-fluoroindole
CID 82782530
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrole-2-carboxylic acid
CID 62234275
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylimidazol-2-amine
CID 106569578
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,7-dihydro-5H-indol-4-one
CID 62233023
2-[4-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazin-1-yl]propan-1-amine
CID 66347219
3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 66363440
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79104785
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-2-amine
CID 66399277
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-5-carbaldehyde
CID 102910872

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpyrrol-3-yl]methanamine?
The IUPAC name of [1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpyrrol-3-yl]methanamine (CID 114195982) is [1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpyrrol-3-yl]methanamine.
What is the SMILES notation for [1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpyrrol-3-yl]methanamine?
The canonical SMILES for [1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpyrrol-3-yl]methanamine is Cc1c(CN)ccn1CC1Cc2ccccc2O1.
What is the InChIKey of [1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpyrrol-3-yl]methanamine?
The InChIKey is IAFNVSCLZUCWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-13(9-16)6-7-17(11)10-14-8-12-4-2-3-5-15(12)18-14/h2-7,14H,8-10,16H2,1H3.
What are the key properties of [1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpyrrol-3-yl]methanamine?
[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpyrrol-3-yl]methanamine has a molecular weight of 242.32 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpyrrol-3-yl]methanamine is sourced from PubChem (CID 114195982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).