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

C21H23ClF2N2O2 — CID 25138737

IUPAC8-fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride
SMILESCOc1ccc(F)c2c1CC(NCCCc1c[nH]c3ccc(F)cc13)CO2.Cl
InChIInChI=1S/C21H22F2N2O2.ClH/c1-26-20-7-5-18(23)21-17(20)10-15(12-27-21)24-8-2-3-13-11-25-19-6-4-14(22)9-16(13)19;/h4-7,9,11,15,24-25H,2-3,8,10,12H2,1H3;1H
InChIKeyZYDLCFKWCBDWRE-UHFFFAOYSA-N
MW408.88 g/mol
LogP4.40
Rot. Bonds6

About 8-fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride

8-fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride (PubChem CID 25138737) has the molecular formula C21H23ClF2N2O2 and a molecular weight of 408.88 g/mol. Its IUPAC name is 8-fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride.

Molecular Properties

Compound Name8-fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride
PubChem CID25138737
Molecular FormulaC21H23ClF2N2O2
Molecular Weight408.88 g/mol
Exact Mass408.14
IUPAC Name8-fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride
SMILESCOc1ccc(F)c2c1CC(NCCCc1c[nH]c3ccc(F)cc13)CO2.Cl
InChIInChI=1S/C21H22F2N2O2.ClH/c1-26-20-7-5-18(23)21-17(20)10-15(12-27-21)24-8-2-3-13-11-25-19-6-4-14(22)9-16(13)19;/h4-7,9,11,15,24-25H,2-3,8,10,12H2,1H3;1H
InChIKeyZYDLCFKWCBDWRE-UHFFFAOYSA-N
XLogP4.40
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.88
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride
CID 11845452
(3S)-8-chloro-3-[3-(5-fluoro-1H-indol-3-yl)propylamino]-3,4-dihydro-2H-chromene-5-carboxamide
CID 25139653
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 142681169
N-[6-(5-fluoro-1H-indol-3-yl)hexan-3-yl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine
CID 69439070
N-cyclobutyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride
CID 11845458
3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride
CID 25140792
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82493570
(3R)-8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propyl-propylamino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride
CID 25139365
8-fluoro-3-[[2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl]-3,4-dihydro-2H-chromene-5-carboxamide
CID 91261317
3-[[1-cyclobutyl-3-(5-fluoro-1H-indol-3-yl)propyl]amino]-N-ethyl-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
CID 69439152
3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-N-cyclopentyl-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
CID 11466308
N-butyl-3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
CID 11248961

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
The IUPAC name of 8-fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride (CID 25138737) is 8-fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride.
What is the SMILES notation for 8-fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
The canonical SMILES for 8-fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride is COc1ccc(F)c2c1CC(NCCCc1c[nH]c3ccc(F)cc13)CO2.Cl.
What is the InChIKey of 8-fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
The InChIKey is ZYDLCFKWCBDWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O2.ClH/c1-26-20-7-5-18(23)21-17(20)10-15(12-27-21)24-8-2-3-13-11-25-19-6-4-14(22)9-16(13)19;/h4-7,9,11,15,24-25H,2-3,8,10,12H2,1H3;1H.
What are the key properties of 8-fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
8-fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride has a molecular weight of 408.88 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride is sourced from PubChem (CID 25138737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).