3-(1-cyclohexylindol-3-yl)-N-propyl-3-[3-(trifluoromethoxy)phenyl]propan-1-amine

C27H33F3N2O — CID 142579537

IUPAC3-(1-cyclohexylindol-3-yl)-N-propyl-3-[3-(trifluoromethoxy)phenyl]propan-1-amine
SMILESCCCNCCC(c1cccc(OC(F)(F)F)c1)c1cn(C2CCCCC2)c2ccccc12
InChIInChI=1S/C27H33F3N2O/c1-2-16-31-17-15-23(20-9-8-12-22(18-20)33-27(28,29)30)25-19-32(21-10-4-3-5-11-21)26-14-7-6-13-24(25)26/h6-9,12-14,18-19,21,23,31H,2-5,10-11,15-17H2,1H3
InChIKeyPVZLUAOBDXRAJP-UHFFFAOYSA-N
MW458.57 g/mol
LogP7.57
Rot. Bonds9

About 3-(1-cyclohexylindol-3-yl)-N-propyl-3-[3-(trifluoromethoxy)phenyl]propan-1-amine

3-(1-cyclohexylindol-3-yl)-N-propyl-3-[3-(trifluoromethoxy)phenyl]propan-1-amine (PubChem CID 142579537) has the molecular formula C27H33F3N2O and a molecular weight of 458.57 g/mol. Its IUPAC name is 3-(1-cyclohexylindol-3-yl)-N-propyl-3-[3-(trifluoromethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-(1-cyclohexylindol-3-yl)-N-propyl-3-[3-(trifluoromethoxy)phenyl]propan-1-amine
PubChem CID142579537
Molecular FormulaC27H33F3N2O
Molecular Weight458.57 g/mol
Exact Mass458.25
IUPAC Name3-(1-cyclohexylindol-3-yl)-N-propyl-3-[3-(trifluoromethoxy)phenyl]propan-1-amine
SMILESCCCNCCC(c1cccc(OC(F)(F)F)c1)c1cn(C2CCCCC2)c2ccccc12
InChIInChI=1S/C27H33F3N2O/c1-2-16-31-17-15-23(20-9-8-12-22(18-20)33-27(28,29)30)25-19-32(21-10-4-3-5-11-21)26-14-7-6-13-24(25)26/h6-9,12-14,18-19,21,23,31H,2-5,10-11,15-17H2,1H3
InChIKeyPVZLUAOBDXRAJP-UHFFFAOYSA-N
XLogP7.57
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.57
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(3-aminopropylamino)-1-[3-(trifluoromethoxy)phenyl]propyl]-1-cyclohexylindole-5-carbonitrile;benzenesulfonic acid
CID 155124139
3-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]propane-1,2,3-triamine
CID 142579326
4-[[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]amino]piperidine-1-carboxamide;hydrochloride
CID 162459953
N'-[3-(1-cyclohexyl-5-isocyanoindol-3-yl)-3-(3-methylphenyl)propyl]propane-1,3-diamine
CID 158039799
N-(1-acetylpiperidin-4-yl)-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]acetamide
CID 142579457
N'-[3-(1-cyclohexylindol-3-yl)-3-cyclopentylpropyl]propane-1,3-diamine
CID 142579659
N-ethyl-3-[3-(trifluoromethoxy)phenyl]butan-1-amine
CID 81018899
N-[[4-(aminomethyl)cyclohexyl]methyl]-3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propan-1-amine
CID 142579399
2-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 86599940
N-cyclohexyl-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide
CID 42801294
1-[2-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 59701268
N-[2,2-difluoro-1-[3-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 103516612

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexylindol-3-yl)-N-propyl-3-[3-(trifluoromethoxy)phenyl]propan-1-amine?
The IUPAC name of 3-(1-cyclohexylindol-3-yl)-N-propyl-3-[3-(trifluoromethoxy)phenyl]propan-1-amine (CID 142579537) is 3-(1-cyclohexylindol-3-yl)-N-propyl-3-[3-(trifluoromethoxy)phenyl]propan-1-amine.
What is the SMILES notation for 3-(1-cyclohexylindol-3-yl)-N-propyl-3-[3-(trifluoromethoxy)phenyl]propan-1-amine?
The canonical SMILES for 3-(1-cyclohexylindol-3-yl)-N-propyl-3-[3-(trifluoromethoxy)phenyl]propan-1-amine is CCCNCCC(c1cccc(OC(F)(F)F)c1)c1cn(C2CCCCC2)c2ccccc12.
What is the InChIKey of 3-(1-cyclohexylindol-3-yl)-N-propyl-3-[3-(trifluoromethoxy)phenyl]propan-1-amine?
The InChIKey is PVZLUAOBDXRAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F3N2O/c1-2-16-31-17-15-23(20-9-8-12-22(18-20)33-27(28,29)30)25-19-32(21-10-4-3-5-11-21)26-14-7-6-13-24(25)26/h6-9,12-14,18-19,21,23,31H,2-5,10-11,15-17H2,1H3.
What are the key properties of 3-(1-cyclohexylindol-3-yl)-N-propyl-3-[3-(trifluoromethoxy)phenyl]propan-1-amine?
3-(1-cyclohexylindol-3-yl)-N-propyl-3-[3-(trifluoromethoxy)phenyl]propan-1-amine has a molecular weight of 458.57 g/mol, XLogP of 7.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexylindol-3-yl)-N-propyl-3-[3-(trifluoromethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 142579537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).