8-(benzhydrylideneamino)-5-methoxy-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine

C25H26N2O2 — CID 76565019

IUPAC8-(benzhydrylideneamino)-5-methoxy-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1ccc(N=C(c2ccccc2)c2ccccc2)c2c1CC(N(C)C)CO2
InChIInChI=1S/C25H26N2O2/c1-27(2)20-16-21-23(28-3)15-14-22(25(21)29-17-20)26-24(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-15,20H,16-17H2,1-3H3
InChIKeyKXJBFCAPRZHRGV-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.73
Rot. Bonds5

About 8-(benzhydrylideneamino)-5-methoxy-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine

8-(benzhydrylideneamino)-5-methoxy-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine (PubChem CID 76565019) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 8-(benzhydrylideneamino)-5-methoxy-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name8-(benzhydrylideneamino)-5-methoxy-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine
PubChem CID76565019
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name8-(benzhydrylideneamino)-5-methoxy-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1ccc(N=C(c2ccccc2)c2ccccc2)c2c1CC(N(C)C)CO2
InChIInChI=1S/C25H26N2O2/c1-27(2)20-16-21-23(28-3)15-14-22(25(21)29-17-20)26-24(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-15,20H,16-17H2,1-3H3
InChIKeyKXJBFCAPRZHRGV-UHFFFAOYSA-N
XLogP4.73
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(benzhydrylideneamino)-5-methoxy-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of 8-(benzhydrylideneamino)-5-methoxy-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine (CID 76565019) is 8-(benzhydrylideneamino)-5-methoxy-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for 8-(benzhydrylideneamino)-5-methoxy-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for 8-(benzhydrylideneamino)-5-methoxy-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine is COc1ccc(N=C(c2ccccc2)c2ccccc2)c2c1CC(N(C)C)CO2.
What is the InChIKey of 8-(benzhydrylideneamino)-5-methoxy-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is KXJBFCAPRZHRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-27(2)20-16-21-23(28-3)15-14-22(25(21)29-17-20)26-24(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-15,20H,16-17H2,1-3H3.
What are the key properties of 8-(benzhydrylideneamino)-5-methoxy-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine?
8-(benzhydrylideneamino)-5-methoxy-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 386.50 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(benzhydrylideneamino)-5-methoxy-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 76565019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).