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

C22H25FN2O2 — CID 11233991

IUPACN-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-methyl-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1cccc2c1CC(N(C)CCCc1c[nH]c3ccc(F)cc13)CO2
InChIInChI=1S/C22H25FN2O2/c1-25(17-12-19-21(26-2)6-3-7-22(19)27-14-17)10-4-5-15-13-24-20-9-8-16(23)11-18(15)20/h3,6-9,11,13,17,24H,4-5,10,12,14H2,1-2H3
InChIKeyDVPDEYGRKNNDDO-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.18
Rot. Bonds6

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

N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-methyl-3,4-dihydro-2H-chromen-3-amine (PubChem CID 11233991) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-methyl-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound NameN-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-methyl-3,4-dihydro-2H-chromen-3-amine
PubChem CID11233991
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC NameN-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-methyl-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1cccc2c1CC(N(C)CCCc1c[nH]c3ccc(F)cc13)CO2
InChIInChI=1S/C22H25FN2O2/c1-25(17-12-19-21(26-2)6-3-7-22(19)27-14-17)10-4-5-15-13-24-20-9-8-16(23)11-18(15)20/h3,6-9,11,13,17,24H,4-5,10,12,14H2,1-2H3
InChIKeyDVPDEYGRKNNDDO-UHFFFAOYSA-N
XLogP4.18
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.18
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-methyl-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-methyl-3,4-dihydro-2H-chromen-3-amine (CID 11233991) is N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-methyl-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-methyl-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-methyl-3,4-dihydro-2H-chromen-3-amine is COc1cccc2c1CC(N(C)CCCc1c[nH]c3ccc(F)cc13)CO2.
What is the InChIKey of N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-methyl-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is DVPDEYGRKNNDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-25(17-12-19-21(26-2)6-3-7-22(19)27-14-17)10-4-5-15-13-24-20-9-8-16(23)11-18(15)20/h3,6-9,11,13,17,24H,4-5,10,12,14H2,1-2H3.
What are the key properties of N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-methyl-3,4-dihydro-2H-chromen-3-amine?
N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-methyl-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 368.45 g/mol, XLogP of 4.18, 6 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-methyl-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 11233991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).