N-cyclobutyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine

C25H29FN2O2 — CID 11463955

IUPACN-cyclobutyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1cccc2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2
InChIInChI=1S/C25H29FN2O2/c1-29-24-8-3-9-25-22(24)14-20(16-30-25)28(19-6-2-7-19)12-4-5-17-15-27-23-11-10-18(26)13-21(17)23/h3,8-11,13,15,19-20,27H,2,4-7,12,14,16H2,1H3
InChIKeyJBNQPDCVQXSXPZ-UHFFFAOYSA-N
MW408.52 g/mol
LogP5.11
Rot. Bonds7

About N-cyclobutyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine

N-cyclobutyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine (PubChem CID 11463955) has the molecular formula C25H29FN2O2 and a molecular weight of 408.52 g/mol. Its IUPAC name is N-cyclobutyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound NameN-cyclobutyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine
PubChem CID11463955
Molecular FormulaC25H29FN2O2
Molecular Weight408.52 g/mol
Exact Mass408.22
IUPAC NameN-cyclobutyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1cccc2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2
InChIInChI=1S/C25H29FN2O2/c1-29-24-8-3-9-25-22(24)14-20(16-30-25)28(19-6-2-7-19)12-4-5-17-15-27-23-11-10-18(26)13-21(17)23/h3,8-11,13,15,19-20,27H,2,4-7,12,14,16H2,1H3
InChIKeyJBNQPDCVQXSXPZ-UHFFFAOYSA-N
XLogP5.11
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.52
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclobutyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine with MolForge

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Related Compounds

Idalopirdine
CID 21071390
Benzyl-[2-(1H-indol-4-yloxy)-ethyl]-amine
CID 9838216
3-{[4-(2-ethoxyphenyl)-1-piperazinyl]methyl}-1H-indole
CID 3504099
[2-(1H-Indol-4-yloxy)-ethyl]-(4-phenyl-butyl)-amine
CID 9861435
[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-ethyl]-[3-(5-fluoro-1H-indol-3-yl)-propyl]-amine
CID 9885700
3-{1-[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-ethyl]-1,2,3,6-tetrahydro-pyridin-4-yl}-1H-indole
CID 9929572
3-{1-[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-ethyl]-1,2,3,6-tetrahydro-pyridin-4-yl}-6-fluoro-1H-indole
CID 10271949
3-{1-[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-ethyl]-piperidin-4-ylmethyl}-5-fluoro-1H-indole
CID 10272986
[2-(6-Fluoro-chroman-8-yloxy)-ethyl]-[3-(5-fluoro-1H-indol-3-yl)-propyl]-amine
CID 10362715
[3-(5-Fluoro-1H-indol-3-yl)-propyl]-[2-(2-Methoxy-phenoxy)ethyl]-amine
CID 11221557
[3-(5-Fluoro-1H-indol-3-yl)propyl]-[2-(5-fluoro-2-methoxy-phenoxy)-ethyl]-amine
CID 11382841
3-{[3-(5-Fluoro-1H-indol-3-yl)propyl](propyl)amino}chromane-5-carboxamide
CID 44589076

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of N-cyclobutyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine (CID 11463955) is N-cyclobutyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for N-cyclobutyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for N-cyclobutyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine is COc1cccc2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2.
What is the InChIKey of N-cyclobutyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is JBNQPDCVQXSXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O2/c1-29-24-8-3-9-25-22(24)14-20(16-30-25)28(19-6-2-7-19)12-4-5-17-15-27-23-11-10-18(26)13-21(17)23/h3,8-11,13,15,19-20,27H,2,4-7,12,14,16H2,1H3.
What are the key properties of N-cyclobutyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine?
N-cyclobutyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 408.52 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 11463955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).