N-ethyl-3-[7-[3-(ethylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine

C22H30N2O3 — CID 57439365

IUPACN-ethyl-3-[7-[3-(ethylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine
SMILESCCNCCCOc1ccc2c(c1)oc1cc(OCCCNCC)ccc12
InChIInChI=1S/C22H30N2O3/c1-3-23-11-5-13-25-17-7-9-19-20-10-8-18(26-14-6-12-24-4-2)16-22(20)27-21(19)15-17/h7-10,15-16,23-24H,3-6,11-14H2,1-2H3
InChIKeyBTPWDGKBYNCUDU-UHFFFAOYSA-N
MW370.49 g/mol
LogP4.34
Rot. Bonds12

About N-ethyl-3-[7-[3-(ethylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine

N-ethyl-3-[7-[3-(ethylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine (PubChem CID 57439365) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-ethyl-3-[7-[3-(ethylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[7-[3-(ethylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine
PubChem CID57439365
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-ethyl-3-[7-[3-(ethylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine
SMILESCCNCCCOc1ccc2c(c1)oc1cc(OCCCNCC)ccc12
InChIInChI=1S/C22H30N2O3/c1-3-23-11-5-13-25-17-7-9-19-20-10-8-18(26-14-6-12-24-4-2)16-22(20)27-21(19)15-17/h7-10,15-16,23-24H,3-6,11-14H2,1-2H3
InChIKeyBTPWDGKBYNCUDU-UHFFFAOYSA-N
XLogP4.34
TPSA55.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.34
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-methyl-3-[7-[3-(methylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine
CID 57439364
2-dibenzofuran-2-yloxy-N-ethylethanamine
CID 55152660
3,6-bis[2-(propylamino)ethoxy]xanthen-9-one
CID 57439577
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
N-ethyl-2-[[7-[2-(ethylamino)ethoxy]-9H-carbazol-2-yl]oxy]ethanamine
CID 57439411
3-(3-ethoxyphenoxy)-N-ethylpropan-1-amine
CID 62337478
2,6-bis[3-(ethylamino)propoxy]-10H-acridin-9-one
CID 57439670
3-(3,5-dimethylphenoxy)-N-ethylpropan-1-amine
CID 28878857
2-(3,4-dichlorophenoxy)-N-ethylethanamine
CID 6457952
3,8-dioctoxybenzo[c]chromen-6-one
CID 150150540
N-ethyl-3-(3-methyl-4-nitrophenoxy)propan-1-amine
CID 29015276

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[7-[3-(ethylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine?
The IUPAC name of N-ethyl-3-[7-[3-(ethylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine (CID 57439365) is N-ethyl-3-[7-[3-(ethylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine.
What is the SMILES notation for N-ethyl-3-[7-[3-(ethylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine?
The canonical SMILES for N-ethyl-3-[7-[3-(ethylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine is CCNCCCOc1ccc2c(c1)oc1cc(OCCCNCC)ccc12.
What is the InChIKey of N-ethyl-3-[7-[3-(ethylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine?
The InChIKey is BTPWDGKBYNCUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-3-23-11-5-13-25-17-7-9-19-20-10-8-18(26-14-6-12-24-4-2)16-22(20)27-21(19)15-17/h7-10,15-16,23-24H,3-6,11-14H2,1-2H3.
What are the key properties of N-ethyl-3-[7-[3-(ethylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine?
N-ethyl-3-[7-[3-(ethylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine has a molecular weight of 370.49 g/mol, XLogP of 4.34, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[7-[3-(ethylamino)propoxy]dibenzofuran-3-yl]oxypropan-1-amine is sourced from PubChem (CID 57439365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).