N-[6-(5-fluoro-1H-indol-3-yl)hexan-3-yl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine

C24H29FN2O2 — CID 69439070

IUPACN-[6-(5-fluoro-1H-indol-3-yl)hexan-3-yl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine
SMILESCCC(CCCc1c[nH]c2ccc(F)cc12)NC1COc2cccc(OC)c2C1
InChIInChI=1S/C24H29FN2O2/c1-3-18(7-4-6-16-14-26-22-11-10-17(25)12-20(16)22)27-19-13-21-23(28-2)8-5-9-24(21)29-15-19/h5,8-12,14,18-19,26-27H,3-4,6-7,13,15H2,1-2H3
InChIKeyACXSGARLUSVMPL-UHFFFAOYSA-N
MW396.51 g/mol
LogP5.01
Rot. Bonds8

About N-[6-(5-fluoro-1H-indol-3-yl)hexan-3-yl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine

N-[6-(5-fluoro-1H-indol-3-yl)hexan-3-yl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine (PubChem CID 69439070) has the molecular formula C24H29FN2O2 and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[6-(5-fluoro-1H-indol-3-yl)hexan-3-yl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound NameN-[6-(5-fluoro-1H-indol-3-yl)hexan-3-yl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine
PubChem CID69439070
Molecular FormulaC24H29FN2O2
Molecular Weight396.51 g/mol
Exact Mass396.22
IUPAC NameN-[6-(5-fluoro-1H-indol-3-yl)hexan-3-yl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine
SMILESCCC(CCCc1c[nH]c2ccc(F)cc12)NC1COc2cccc(OC)c2C1
InChIInChI=1S/C24H29FN2O2/c1-3-18(7-4-6-16-14-26-22-11-10-17(25)12-20(16)22)27-19-13-21-23(28-2)8-5-9-24(21)29-15-19/h5,8-12,14,18-19,26-27H,3-4,6-7,13,15H2,1-2H3
InChIKeyACXSGARLUSVMPL-UHFFFAOYSA-N
XLogP5.01
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.51
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[6-(5-fluoro-1H-indol-3-yl)hexan-3-yl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-fluoro-1H-indol-3-yl)hexan-3-yl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of N-[6-(5-fluoro-1H-indol-3-yl)hexan-3-yl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine (CID 69439070) is N-[6-(5-fluoro-1H-indol-3-yl)hexan-3-yl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for N-[6-(5-fluoro-1H-indol-3-yl)hexan-3-yl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for N-[6-(5-fluoro-1H-indol-3-yl)hexan-3-yl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine is CCC(CCCc1c[nH]c2ccc(F)cc12)NC1COc2cccc(OC)c2C1.
What is the InChIKey of N-[6-(5-fluoro-1H-indol-3-yl)hexan-3-yl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is ACXSGARLUSVMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O2/c1-3-18(7-4-6-16-14-26-22-11-10-17(25)12-20(16)22)27-19-13-21-23(28-2)8-5-9-24(21)29-15-19/h5,8-12,14,18-19,26-27H,3-4,6-7,13,15H2,1-2H3.
What are the key properties of N-[6-(5-fluoro-1H-indol-3-yl)hexan-3-yl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine?
N-[6-(5-fluoro-1H-indol-3-yl)hexan-3-yl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 396.51 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-fluoro-1H-indol-3-yl)hexan-3-yl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 69439070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).