4-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethenyl]-N-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]naphthalen-1-amine

C30H30F4N2 — CID 142925200

IUPAC4-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethenyl]-N-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]naphthalen-1-amine
SMILESC=C(Nc1ccc(C(=C)N2CCCC3CCCCC32)c2ccccc12)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C30H30F4N2/c1-19(23-14-13-22(18-27(23)31)30(32,33)34)35-28-16-15-24(25-10-4-5-11-26(25)28)20(2)36-17-7-9-21-8-3-6-12-29(21)36/h4-5,10-11,13-16,18,21,29,35H,1-3,6-9,12,17H2
InChIKeyRMWSTRODTFNHDU-UHFFFAOYSA-N
MW494.58 g/mol
LogP8.71
Rot. Bonds5

About 4-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethenyl]-N-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]naphthalen-1-amine

4-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethenyl]-N-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]naphthalen-1-amine (PubChem CID 142925200) has the molecular formula C30H30F4N2 and a molecular weight of 494.58 g/mol. Its IUPAC name is 4-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethenyl]-N-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]naphthalen-1-amine.

Molecular Properties

Compound Name4-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethenyl]-N-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]naphthalen-1-amine
PubChem CID142925200
Molecular FormulaC30H30F4N2
Molecular Weight494.58 g/mol
Exact Mass494.23
IUPAC Name4-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethenyl]-N-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]naphthalen-1-amine
SMILESC=C(Nc1ccc(C(=C)N2CCCC3CCCCC32)c2ccccc12)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C30H30F4N2/c1-19(23-14-13-22(18-27(23)31)30(32,33)34)35-28-16-15-24(25-10-4-5-11-26(25)28)20(2)36-17-7-9-21-8-3-6-12-29(21)36/h4-5,10-11,13-16,18,21,29,35H,1-3,6-9,12,17H2
InChIKeyRMWSTRODTFNHDU-UHFFFAOYSA-N
XLogP8.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.58
LogP ≤ 58.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethenyl]-N-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]naphthalen-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethenyl]-N-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]naphthalen-1-amine?
The IUPAC name of 4-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethenyl]-N-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]naphthalen-1-amine (CID 142925200) is 4-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethenyl]-N-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]naphthalen-1-amine.
What is the SMILES notation for 4-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethenyl]-N-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]naphthalen-1-amine?
The canonical SMILES for 4-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethenyl]-N-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]naphthalen-1-amine is C=C(Nc1ccc(C(=C)N2CCCC3CCCCC32)c2ccccc12)c1ccc(C(F)(F)F)cc1F.
What is the InChIKey of 4-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethenyl]-N-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]naphthalen-1-amine?
The InChIKey is RMWSTRODTFNHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F4N2/c1-19(23-14-13-22(18-27(23)31)30(32,33)34)35-28-16-15-24(25-10-4-5-11-26(25)28)20(2)36-17-7-9-21-8-3-6-12-29(21)36/h4-5,10-11,13-16,18,21,29,35H,1-3,6-9,12,17H2.
What are the key properties of 4-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethenyl]-N-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]naphthalen-1-amine?
4-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethenyl]-N-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]naphthalen-1-amine has a molecular weight of 494.58 g/mol, XLogP of 8.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethenyl]-N-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]naphthalen-1-amine is sourced from PubChem (CID 142925200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).