4-methoxy-N-[3-(methylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine

C21H24N2O3 — CID 57003860

IUPAC4-methoxy-N-[3-(methylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine
SMILESCNCCCONC1=C2CC2(c2ccccc2)Oc2cc(OC)ccc21
InChIInChI=1S/C21H24N2O3/c1-22-11-6-12-25-23-20-17-10-9-16(24-2)13-19(17)26-21(14-18(20)21)15-7-4-3-5-8-15/h3-5,7-10,13,22-23H,6,11-12,14H2,1-2H3
InChIKeyWPPFCTBLGAGTRO-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.23
Rot. Bonds8

About 4-methoxy-N-[3-(methylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine

4-methoxy-N-[3-(methylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine (PubChem CID 57003860) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 4-methoxy-N-[3-(methylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine.

Molecular Properties

Compound Name4-methoxy-N-[3-(methylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine
PubChem CID57003860
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name4-methoxy-N-[3-(methylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine
SMILESCNCCCONC1=C2CC2(c2ccccc2)Oc2cc(OC)ccc21
InChIInChI=1S/C21H24N2O3/c1-22-11-6-12-25-23-20-17-10-9-16(24-2)13-19(17)26-21(14-18(20)21)15-7-4-3-5-8-15/h3-5,7-10,13,22-23H,6,11-12,14H2,1-2H3
InChIKeyWPPFCTBLGAGTRO-UHFFFAOYSA-N
XLogP3.23
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(methylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine?
The IUPAC name of 4-methoxy-N-[3-(methylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine (CID 57003860) is 4-methoxy-N-[3-(methylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine.
What is the SMILES notation for 4-methoxy-N-[3-(methylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine?
The canonical SMILES for 4-methoxy-N-[3-(methylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine is CNCCCONC1=C2CC2(c2ccccc2)Oc2cc(OC)ccc21.
What is the InChIKey of 4-methoxy-N-[3-(methylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine?
The InChIKey is WPPFCTBLGAGTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-22-11-6-12-25-23-20-17-10-9-16(24-2)13-19(17)26-21(14-18(20)21)15-7-4-3-5-8-15/h3-5,7-10,13,22-23H,6,11-12,14H2,1-2H3.
What are the key properties of 4-methoxy-N-[3-(methylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine?
4-methoxy-N-[3-(methylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine has a molecular weight of 352.43 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(methylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine is sourced from PubChem (CID 57003860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).