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

C21H24ClFN2O2 — CID 11845452

IUPACN-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride
SMILESCOc1cccc2c1CC(NCCCc1c[nH]c3ccc(F)cc13)CO2.Cl
InChIInChI=1S/C21H23FN2O2.ClH/c1-25-20-5-2-6-21-18(20)11-16(13-26-21)23-9-3-4-14-12-24-19-8-7-15(22)10-17(14)19;/h2,5-8,10,12,16,23-24H,3-4,9,11,13H2,1H3;1H
InChIKeyNMTQGXPWZVNYPV-UHFFFAOYSA-N
MW390.89 g/mol
LogP4.26
Rot. Bonds6

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

N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride (PubChem CID 11845452) has the molecular formula C21H24ClFN2O2 and a molecular weight of 390.89 g/mol. Its IUPAC name is N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride.

Molecular Properties

Compound NameN-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride
PubChem CID11845452
Molecular FormulaC21H24ClFN2O2
Molecular Weight390.89 g/mol
Exact Mass390.15
IUPAC NameN-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride
SMILESCOc1cccc2c1CC(NCCCc1c[nH]c3ccc(F)cc13)CO2.Cl
InChIInChI=1S/C21H23FN2O2.ClH/c1-25-20-5-2-6-21-18(20)11-16(13-26-21)23-9-3-4-14-12-24-19-8-7-15(22)10-17(14)19;/h2,5-8,10,12,16,23-24H,3-4,9,11,13H2,1H3;1H
InChIKeyNMTQGXPWZVNYPV-UHFFFAOYSA-N
XLogP4.26
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride
CID 25138737
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
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 142681169
(3S)-8-chloro-3-[3-(5-fluoro-1H-indol-3-yl)propylamino]-3,4-dihydro-2H-chromene-5-carboxamide
CID 25139653
(3R)-3-[3-(1H-indol-3-yl)propylamino]-3,4-dihydro-2H-chromene-5-carboxamide
CID 59804386
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82493570
3-[3-[(1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl)amino]propyl]-1H-indole-5-carbonitrile
CID 46225264
8-[3-(5,7-difluoro-1H-indol-3-yl)propylamino]-3,7,8,9-tetrahydro-2H-pyrano[2,3-g]isoindol-1-one
CID 69072143
3-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]cyclohexyl]-1H-indole-5-carbonitrile
CID 11418191
N-[3-(5-fluoro-1H-indol-3-yl)propyl]pentan-1-amine
CID 141110811
(1S)-3-(5-fluoro-1H-indol-3-yl)-N-[[(3S)-5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]cyclopentan-1-amine
CID 10386054

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
The IUPAC name of N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride (CID 11845452) is 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 N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
The canonical SMILES for N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride is COc1cccc2c1CC(NCCCc1c[nH]c3ccc(F)cc13)CO2.Cl.
What is the InChIKey of N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
The InChIKey is NMTQGXPWZVNYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2.ClH/c1-25-20-5-2-6-21-18(20)11-16(13-26-21)23-9-3-4-14-12-24-19-8-7-15(22)10-17(14)19;/h2,5-8,10,12,16,23-24H,3-4,9,11,13H2,1H3;1H.
What are the key properties of N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride has a molecular weight of 390.89 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 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-3,4-dihydro-2H-chromen-3-amine;hydrochloride is sourced from PubChem (CID 11845452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).