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

C24H29FN2O2 — CID 11246478

IUPACN-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-propyl-3,4-dihydro-2H-chromen-3-amine
SMILESCCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2cccc(OC)c2C1
InChIInChI=1S/C24H29FN2O2/c1-3-11-27(19-14-21-23(28-2)7-4-8-24(21)29-16-19)12-5-6-17-15-26-22-10-9-18(25)13-20(17)22/h4,7-10,13,15,19,26H,3,5-6,11-12,14,16H2,1-2H3
InChIKeyRGINBKVNVZEJNN-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.96
Rot. Bonds8

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

N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-propyl-3,4-dihydro-2H-chromen-3-amine (PubChem CID 11246478) has the molecular formula C24H29FN2O2 and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-propyl-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound NameN-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-propyl-3,4-dihydro-2H-chromen-3-amine
PubChem CID11246478
Molecular FormulaC24H29FN2O2
Molecular Weight396.51 g/mol
Exact Mass396.22
IUPAC NameN-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-propyl-3,4-dihydro-2H-chromen-3-amine
SMILESCCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2cccc(OC)c2C1
InChIInChI=1S/C24H29FN2O2/c1-3-11-27(19-14-21-23(28-2)7-4-8-24(21)29-16-19)12-5-6-17-15-26-22-10-9-18(25)13-20(17)22/h4,7-10,13,15,19,26H,3,5-6,11-12,14,16H2,1-2H3
InChIKeyRGINBKVNVZEJNN-UHFFFAOYSA-N
XLogP4.96
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-propyl-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-propyl-3,4-dihydro-2H-chromen-3-amine (CID 11246478) is N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-propyl-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-propyl-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-propyl-3,4-dihydro-2H-chromen-3-amine is CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2cccc(OC)c2C1.
What is the InChIKey of N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-propyl-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is RGINBKVNVZEJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O2/c1-3-11-27(19-14-21-23(28-2)7-4-8-24(21)29-16-19)12-5-6-17-15-26-22-10-9-18(25)13-20(17)22/h4,7-10,13,15,19,26H,3,5-6,11-12,14,16H2,1-2H3.
What are the key properties of N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-propyl-3,4-dihydro-2H-chromen-3-amine?
N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-propyl-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 396.51 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-propyl-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 11246478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).