N-methyl-3-[7-[3-(methylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine

C20H26N2O3 — CID 57439364

IUPACN-methyl-3-[7-[3-(methylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine
SMILESCNCCCOc1ccc2c(c1)oc1cc(OCCCNC)ccc12
InChIInChI=1S/C20H26N2O3/c1-21-9-3-11-23-15-5-7-17-18-8-6-16(24-12-4-10-22-2)14-20(18)25-19(17)13-15/h5-8,13-14,21-22H,3-4,9-12H2,1-2H3
InChIKeyNPSDISPEODYRLU-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.56
Rot. Bonds10

About N-methyl-3-[7-[3-(methylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine

N-methyl-3-[7-[3-(methylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine (PubChem CID 57439364) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-methyl-3-[7-[3-(methylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[7-[3-(methylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine
PubChem CID57439364
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-methyl-3-[7-[3-(methylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine
SMILESCNCCCOc1ccc2c(c1)oc1cc(OCCCNC)ccc12
InChIInChI=1S/C20H26N2O3/c1-21-9-3-11-23-15-5-7-17-18-8-6-16(24-12-4-10-22-2)14-20(18)25-19(17)13-15/h5-8,13-14,21-22H,3-4,9-12H2,1-2H3
InChIKeyNPSDISPEODYRLU-UHFFFAOYSA-N
XLogP3.56
TPSA55.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.56
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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Related Compounds

N-ethyl-3-[7-[3-(ethylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine
CID 57439365
7,17-dihexoxy-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
CID 102053272
7-butoxy-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 118149901
3,6-bis[2-(propylamino)ethoxy]xanthen-9-one
CID 57439577
N-methyl-3-[9-methyl-6-[3-(methylamino)propoxy]carbazol-3-yl]oxypropan-1-amine
CID 57439519
2-dibenzofuran-3-yloxyethanamine
CID 18615231
N-methyl-3-phenoxypropan-1-amine
CID 22067856
1-[2-[7-[2-(azetidin-1-yl)ethoxy]dibenzofuran-3-yl]oxyethyl]azetidine
CID 57439372
3-(3,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010528
3,8-dioctoxybenzo[c]chromen-6-one
CID 150150540
2-dibenzofuran-2-yloxy-N-ethylethanamine
CID 55152660
1-[3-[7-[3-(azetidin-1-yl)propoxy]dibenzofuran-2-yl]oxypropyl]azetidine
CID 57439391

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[7-[3-(methylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine?
The IUPAC name of N-methyl-3-[7-[3-(methylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine (CID 57439364) is N-methyl-3-[7-[3-(methylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine.
What is the SMILES notation for N-methyl-3-[7-[3-(methylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine?
The canonical SMILES for N-methyl-3-[7-[3-(methylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine is CNCCCOc1ccc2c(c1)oc1cc(OCCCNC)ccc12.
What is the InChIKey of N-methyl-3-[7-[3-(methylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine?
The InChIKey is NPSDISPEODYRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-21-9-3-11-23-15-5-7-17-18-8-6-16(24-12-4-10-22-2)14-20(18)25-19(17)13-15/h5-8,13-14,21-22H,3-4,9-12H2,1-2H3.
What are the key properties of N-methyl-3-[7-[3-(methylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine?
N-methyl-3-[7-[3-(methylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine has a molecular weight of 342.44 g/mol, XLogP of 3.56, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[7-[3-(methylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine is sourced from PubChem (CID 57439364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).