1-(3,5-dihydro-2H-1-benzofuran-5-id-2-yl)-N-methylmethanamine;yttrium

C10H12NOY- — CID 59106162

IUPAC1-(3,5-dihydro-2H-1-benzofuran-5-id-2-yl)-N-methylmethanamine;yttrium
SMILESCNCC1Cc2c[c-]ccc2O1.[Y]
InChIInChI=1S/C10H12NO.Y/c1-11-7-9-6-8-4-2-3-5-10(8)12-9;/h3-5,9,11H,6-7H2,1H3;/q-1;
InChIKeyHCRNHAMPSDNRLR-UHFFFAOYSA-N
MW251.12 g/mol
LogP1.01
Rot. Bonds2

About 1-(3,5-dihydro-2H-1-benzofuran-5-id-2-yl)-N-methylmethanamine;yttrium

1-(3,5-dihydro-2H-1-benzofuran-5-id-2-yl)-N-methylmethanamine;yttrium (PubChem CID 59106162) has the molecular formula C10H12NOY- and a molecular weight of 251.12 g/mol. Its IUPAC name is 1-(3,5-dihydro-2H-1-benzofuran-5-id-2-yl)-N-methylmethanamine;yttrium.

Molecular Properties

Compound Name1-(3,5-dihydro-2H-1-benzofuran-5-id-2-yl)-N-methylmethanamine;yttrium
PubChem CID59106162
Molecular FormulaC10H12NOY-
Molecular Weight251.12 g/mol
Exact Mass251.00
IUPAC Name1-(3,5-dihydro-2H-1-benzofuran-5-id-2-yl)-N-methylmethanamine;yttrium
SMILESCNCC1Cc2c[c-]ccc2O1.[Y]
InChIInChI=1S/C10H12NO.Y/c1-11-7-9-6-8-4-2-3-5-10(8)12-9;/h3-5,9,11H,6-7H2,1H3;/q-1;
InChIKeyHCRNHAMPSDNRLR-UHFFFAOYSA-N
XLogP1.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]ethanamine;yttrium
CID 58999634
3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanamine;yttrium
CID 59106161
N-methyl-1-(1,3,4,6-tetrahydrocyclopenta[c]pyran-1-yl)methanamine
CID 89532761
2-[1-(2-methoxycyclohexa-1,5-dien-1-yl)ethoxy]-N-methylethanamine
CID 89688709
N-[[(1S)-1,3,4,7-tetrahydrocyclopenta[c]pyran-1-yl]methyl]ethanamine
CID 129016184
11-Oxa-3-azatricyclo[6.2.1.02,7]undeca-5,7,9-triene
CID 129254012
N-methyl-1-[(1S)-1,3,4,7-tetrahydrocyclopenta[c]pyran-1-yl]methanamine
CID 132196016
N-methyl-1-(3-methyl-7,7a-dihydro-1-benzofuran-2-yl)methanamine
CID 143482378
N-[(5-ethenyl-6-prop-1-en-2-yl-2,3,4,7-tetrahydrooxepin-7-yl)methyl]propan-1-amine
CID 145138564
N-[[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine
CID 145138582
2,3,4,5,6,7-Hexahydro-1,4-benzoxazepine
CID 166982955
5-Benzofuranmethanamine, 2,3-dihydro-
CID 85844459

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dihydro-2H-1-benzofuran-5-id-2-yl)-N-methylmethanamine;yttrium?
The IUPAC name of 1-(3,5-dihydro-2H-1-benzofuran-5-id-2-yl)-N-methylmethanamine;yttrium (CID 59106162) is 1-(3,5-dihydro-2H-1-benzofuran-5-id-2-yl)-N-methylmethanamine;yttrium.
What is the SMILES notation for 1-(3,5-dihydro-2H-1-benzofuran-5-id-2-yl)-N-methylmethanamine;yttrium?
The canonical SMILES for 1-(3,5-dihydro-2H-1-benzofuran-5-id-2-yl)-N-methylmethanamine;yttrium is CNCC1Cc2c[c-]ccc2O1.[Y].
What is the InChIKey of 1-(3,5-dihydro-2H-1-benzofuran-5-id-2-yl)-N-methylmethanamine;yttrium?
The InChIKey is HCRNHAMPSDNRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12NO.Y/c1-11-7-9-6-8-4-2-3-5-10(8)12-9;/h3-5,9,11H,6-7H2,1H3;/q-1;.
What are the key properties of 1-(3,5-dihydro-2H-1-benzofuran-5-id-2-yl)-N-methylmethanamine;yttrium?
1-(3,5-dihydro-2H-1-benzofuran-5-id-2-yl)-N-methylmethanamine;yttrium has a molecular weight of 251.12 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dihydro-2H-1-benzofuran-5-id-2-yl)-N-methylmethanamine;yttrium is sourced from PubChem (CID 59106162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).