3-(methoxymethyl)-N-prop-2-ynyl-N-trityl-2,3-dihydro-1H-inden-1-amine

C33H31NO — CID 59132823

IUPAC3-(methoxymethyl)-N-prop-2-ynyl-N-trityl-2,3-dihydro-1H-inden-1-amine
SMILESC#CCN(C1CC(COC)c2ccccc21)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H31NO/c1-3-23-34(32-24-26(25-35-2)30-21-13-14-22-31(30)32)33(27-15-7-4-8-16-27,28-17-9-5-10-18-28)29-19-11-6-12-20-29/h1,4-22,26,32H,23-25H2,2H3
InChIKeyGVCUSVJCRCJTGH-UHFFFAOYSA-N
MW457.62 g/mol
LogP6.79
Rot. Bonds8

About 3-(methoxymethyl)-N-prop-2-ynyl-N-trityl-2,3-dihydro-1H-inden-1-amine

3-(methoxymethyl)-N-prop-2-ynyl-N-trityl-2,3-dihydro-1H-inden-1-amine (PubChem CID 59132823) has the molecular formula C33H31NO and a molecular weight of 457.62 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-prop-2-ynyl-N-trityl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name3-(methoxymethyl)-N-prop-2-ynyl-N-trityl-2,3-dihydro-1H-inden-1-amine
PubChem CID59132823
Molecular FormulaC33H31NO
Molecular Weight457.62 g/mol
Exact Mass457.24
IUPAC Name3-(methoxymethyl)-N-prop-2-ynyl-N-trityl-2,3-dihydro-1H-inden-1-amine
SMILESC#CCN(C1CC(COC)c2ccccc21)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H31NO/c1-3-23-34(32-24-26(25-35-2)30-21-13-14-22-31(30)32)33(27-15-7-4-8-16-27,28-17-9-5-10-18-28)29-19-11-6-12-20-29/h1,4-22,26,32H,23-25H2,2H3
InChIKeyGVCUSVJCRCJTGH-UHFFFAOYSA-N
XLogP6.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.62
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-prop-2-ynyl-N-trityl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 3-(methoxymethyl)-N-prop-2-ynyl-N-trityl-2,3-dihydro-1H-inden-1-amine (CID 59132823) is 3-(methoxymethyl)-N-prop-2-ynyl-N-trityl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 3-(methoxymethyl)-N-prop-2-ynyl-N-trityl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 3-(methoxymethyl)-N-prop-2-ynyl-N-trityl-2,3-dihydro-1H-inden-1-amine is C#CCN(C1CC(COC)c2ccccc21)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(methoxymethyl)-N-prop-2-ynyl-N-trityl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is GVCUSVJCRCJTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31NO/c1-3-23-34(32-24-26(25-35-2)30-21-13-14-22-31(30)32)33(27-15-7-4-8-16-27,28-17-9-5-10-18-28)29-19-11-6-12-20-29/h1,4-22,26,32H,23-25H2,2H3.
What are the key properties of 3-(methoxymethyl)-N-prop-2-ynyl-N-trityl-2,3-dihydro-1H-inden-1-amine?
3-(methoxymethyl)-N-prop-2-ynyl-N-trityl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 457.62 g/mol, XLogP of 6.79, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-prop-2-ynyl-N-trityl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 59132823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).