[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrrol-2-yl]methanamine

C14H16N2O2 — CID 117001487

IUPAC[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrrol-2-yl]methanamine
SMILESCn1cc(-c2ccc3c(c2)OCCO3)cc1CN
InChIInChI=1S/C14H16N2O2/c1-16-9-11(6-12(16)8-15)10-2-3-13-14(7-10)18-5-4-17-13/h2-3,6-7,9H,4-5,8,15H2,1H3
InChIKeySBLSNTXMPIOZST-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.92
Rot. Bonds2

About [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrrol-2-yl]methanamine

[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrrol-2-yl]methanamine (PubChem CID 117001487) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrrol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrrol-2-yl]methanamine
PubChem CID117001487
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrrol-2-yl]methanamine
SMILESCn1cc(-c2ccc3c(c2)OCCO3)cc1CN
InChIInChI=1S/C14H16N2O2/c1-16-9-11(6-12(16)8-15)10-2-3-13-14(7-10)18-5-4-17-13/h2-3,6-7,9H,4-5,8,15H2,1H3
InChIKeySBLSNTXMPIOZST-UHFFFAOYSA-N
XLogP1.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methanamine;hydrochloride
CID 172650755
[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanamine
CID 28808405
17-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 23636185
20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
CID 101436486
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluorophenyl]methanamine;hydrochloride
CID 172650769
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxyphenyl]methanamine;hydrochloride
CID 172650776
2-[4-bromo-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-3-yl]ethanamine
CID 84611451
3-(3-aminopropyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-one
CID 92936520
[4-bromo-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylimidazol-2-yl]methanamine
CID 84611469
5-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,3-diol
CID 102219638
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethylaniline
CID 82088714
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propylpyrazole-4-carbaldehyde
CID 61266666

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrrol-2-yl]methanamine?
The IUPAC name of [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrrol-2-yl]methanamine (CID 117001487) is [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrrol-2-yl]methanamine.
What is the SMILES notation for [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrrol-2-yl]methanamine?
The canonical SMILES for [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrrol-2-yl]methanamine is Cn1cc(-c2ccc3c(c2)OCCO3)cc1CN.
What is the InChIKey of [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrrol-2-yl]methanamine?
The InChIKey is SBLSNTXMPIOZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-16-9-11(6-12(16)8-15)10-2-3-13-14(7-10)18-5-4-17-13/h2-3,6-7,9H,4-5,8,15H2,1H3.
What are the key properties of [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrrol-2-yl]methanamine?
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrrol-2-yl]methanamine has a molecular weight of 244.29 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrrol-2-yl]methanamine is sourced from PubChem (CID 117001487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).