4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(3-methoxypropyl)cyclohexan-1-amine

C25H32FNO3 — CID 122658257

IUPAC4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(3-methoxypropyl)cyclohexan-1-amine
SMILESCOCCCNC1CCC(Oc2ccc3c(c2)CCC(c2ccccc2F)O3)CC1
InChIInChI=1S/C25H32FNO3/c1-28-16-4-15-27-19-8-10-20(11-9-19)29-21-12-14-24-18(17-21)7-13-25(30-24)22-5-2-3-6-23(22)26/h2-3,5-6,12,14,17,19-20,25,27H,4,7-11,13,15-16H2,1H3
InChIKeyOSASWFOUCKWAFZ-UHFFFAOYSA-N
MW413.53 g/mol
LogP5.21
Rot. Bonds8

About 4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(3-methoxypropyl)cyclohexan-1-amine

4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(3-methoxypropyl)cyclohexan-1-amine (PubChem CID 122658257) has the molecular formula C25H32FNO3 and a molecular weight of 413.53 g/mol. Its IUPAC name is 4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(3-methoxypropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(3-methoxypropyl)cyclohexan-1-amine
PubChem CID122658257
Molecular FormulaC25H32FNO3
Molecular Weight413.53 g/mol
Exact Mass413.24
IUPAC Name4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(3-methoxypropyl)cyclohexan-1-amine
SMILESCOCCCNC1CCC(Oc2ccc3c(c2)CCC(c2ccccc2F)O3)CC1
InChIInChI=1S/C25H32FNO3/c1-28-16-4-15-27-19-8-10-20(11-9-19)29-21-12-14-24-18(17-21)7-13-25(30-24)22-5-2-3-6-23(22)26/h2-3,5-6,12,14,17,19-20,25,27H,4,7-11,13,15-16H2,1H3
InChIKeyOSASWFOUCKWAFZ-UHFFFAOYSA-N
XLogP5.21
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.53
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(3-methoxypropyl)cyclohexan-1-amine with MolForge

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Related Compounds

N-[4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]-3-methoxypropanamide
CID 122658397
4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(1-methoxybutan-2-yl)cyclohexan-1-amine
CID 122658187
4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(2-methylsulfanylethyl)cyclohexan-1-amine
CID 122658425
N-[4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]-2-methylsulfanylacetamide
CID 122658465
N-(3-methylsulfanylbutyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine
CID 122658381
N-cyclopentyl-4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexan-1-amine
CID 122658252
3-methoxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide
CID 142771428
N-[2-(oxan-4-yl)ethyl]-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine
CID 122658448
4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1-carboxamide
CID 122658307
N-(2-amino-2-oxoethyl)-4-[[2-(3-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexane-1-carboxamide
CID 122658244
[4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexanecarbonyl] 4-[[2-(3-fluoro-2-methoxyphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexane-1-carboxylate
CID 90390107
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine
CID 122658285

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(3-methoxypropyl)cyclohexan-1-amine?
The IUPAC name of 4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(3-methoxypropyl)cyclohexan-1-amine (CID 122658257) is 4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(3-methoxypropyl)cyclohexan-1-amine.
What is the SMILES notation for 4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(3-methoxypropyl)cyclohexan-1-amine?
The canonical SMILES for 4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(3-methoxypropyl)cyclohexan-1-amine is COCCCNC1CCC(Oc2ccc3c(c2)CCC(c2ccccc2F)O3)CC1.
What is the InChIKey of 4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(3-methoxypropyl)cyclohexan-1-amine?
The InChIKey is OSASWFOUCKWAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FNO3/c1-28-16-4-15-27-19-8-10-20(11-9-19)29-21-12-14-24-18(17-21)7-13-25(30-24)22-5-2-3-6-23(22)26/h2-3,5-6,12,14,17,19-20,25,27H,4,7-11,13,15-16H2,1H3.
What are the key properties of 4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(3-methoxypropyl)cyclohexan-1-amine?
4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(3-methoxypropyl)cyclohexan-1-amine has a molecular weight of 413.53 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(3-methoxypropyl)cyclohexan-1-amine is sourced from PubChem (CID 122658257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).