N-methyl-3-[[3-[3-(methylamino)propoxy]-6H-benzo[c]chromen-8-yl]oxy]propan-1-amine

C21H28N2O3 — CID 91401843

IUPACN-methyl-3-[[3-[3-(methylamino)propoxy]-6H-benzo[c]chromen-8-yl]oxy]propan-1-amine
SMILESCNCCCOc1ccc2c(c1)COc1cc(OCCCNC)ccc1-2
InChIInChI=1S/C21H28N2O3/c1-22-9-3-11-24-17-5-7-19-16(13-17)15-26-21-14-18(6-8-20(19)21)25-12-4-10-23-2/h5-8,13-14,22-23H,3-4,9-12,15H2,1-2H3
InChIKeyWAVBKAOPEDKWLQ-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.22
Rot. Bonds10

About N-methyl-3-[[3-[3-(methylamino)propoxy]-6H-benzo[c]chromen-8-yl]oxy]propan-1-amine

N-methyl-3-[[3-[3-(methylamino)propoxy]-6H-benzo[c]chromen-8-yl]oxy]propan-1-amine (PubChem CID 91401843) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-methyl-3-[[3-[3-(methylamino)propoxy]-6H-benzo[c]chromen-8-yl]oxy]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[[3-[3-(methylamino)propoxy]-6H-benzo[c]chromen-8-yl]oxy]propan-1-amine
PubChem CID91401843
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-methyl-3-[[3-[3-(methylamino)propoxy]-6H-benzo[c]chromen-8-yl]oxy]propan-1-amine
SMILESCNCCCOc1ccc2c(c1)COc1cc(OCCCNC)ccc1-2
InChIInChI=1S/C21H28N2O3/c1-22-9-3-11-24-17-5-7-19-16(13-17)15-26-21-14-18(6-8-20(19)21)25-12-4-10-23-2/h5-8,13-14,22-23H,3-4,9-12,15H2,1-2H3
InChIKeyWAVBKAOPEDKWLQ-UHFFFAOYSA-N
XLogP3.22
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[3-[3-(methylamino)propoxy]-6H-benzo[c]chromen-8-yl]oxy]propan-1-amine?
The IUPAC name of N-methyl-3-[[3-[3-(methylamino)propoxy]-6H-benzo[c]chromen-8-yl]oxy]propan-1-amine (CID 91401843) is N-methyl-3-[[3-[3-(methylamino)propoxy]-6H-benzo[c]chromen-8-yl]oxy]propan-1-amine.
What is the SMILES notation for N-methyl-3-[[3-[3-(methylamino)propoxy]-6H-benzo[c]chromen-8-yl]oxy]propan-1-amine?
The canonical SMILES for N-methyl-3-[[3-[3-(methylamino)propoxy]-6H-benzo[c]chromen-8-yl]oxy]propan-1-amine is CNCCCOc1ccc2c(c1)COc1cc(OCCCNC)ccc1-2.
What is the InChIKey of N-methyl-3-[[3-[3-(methylamino)propoxy]-6H-benzo[c]chromen-8-yl]oxy]propan-1-amine?
The InChIKey is WAVBKAOPEDKWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-22-9-3-11-24-17-5-7-19-16(13-17)15-26-21-14-18(6-8-20(19)21)25-12-4-10-23-2/h5-8,13-14,22-23H,3-4,9-12,15H2,1-2H3.
What are the key properties of N-methyl-3-[[3-[3-(methylamino)propoxy]-6H-benzo[c]chromen-8-yl]oxy]propan-1-amine?
N-methyl-3-[[3-[3-(methylamino)propoxy]-6H-benzo[c]chromen-8-yl]oxy]propan-1-amine has a molecular weight of 356.47 g/mol, XLogP of 3.22, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[3-[3-(methylamino)propoxy]-6H-benzo[c]chromen-8-yl]oxy]propan-1-amine is sourced from PubChem (CID 91401843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).