N-[2,2-bis[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-N-phenylnaphthalen-2-amine

C34H27F6NO2 — CID 57038754

IUPACN-[2,2-bis[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-N-phenylnaphthalen-2-amine
SMILESFC(F)(F)COc1ccc(C(CN(c2ccccc2)c2ccc3ccccc3c2)c2ccc(OCC(F)(F)F)cc2)cc1
InChIInChI=1S/C34H27F6NO2/c35-33(36,37)22-42-30-16-11-25(12-17-30)32(26-13-18-31(19-14-26)43-23-34(38,39)40)21-41(28-8-2-1-3-9-28)29-15-10-24-6-4-5-7-27(24)20-29/h1-20,32H,21-23H2
InChIKeyVPPVDRIHJLMJAC-UHFFFAOYSA-N
MW595.58 g/mol
LogP9.69
Rot. Bonds10

About N-[2,2-bis[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-N-phenylnaphthalen-2-amine

N-[2,2-bis[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-N-phenylnaphthalen-2-amine (PubChem CID 57038754) has the molecular formula C34H27F6NO2 and a molecular weight of 595.58 g/mol. Its IUPAC name is N-[2,2-bis[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[2,2-bis[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-N-phenylnaphthalen-2-amine
PubChem CID57038754
Molecular FormulaC34H27F6NO2
Molecular Weight595.58 g/mol
Exact Mass595.19
IUPAC NameN-[2,2-bis[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-N-phenylnaphthalen-2-amine
SMILESFC(F)(F)COc1ccc(C(CN(c2ccccc2)c2ccc3ccccc3c2)c2ccc(OCC(F)(F)F)cc2)cc1
InChIInChI=1S/C34H27F6NO2/c35-33(36,37)22-42-30-16-11-25(12-17-30)32(26-13-18-31(19-14-26)43-23-34(38,39)40)21-41(28-8-2-1-3-9-28)29-15-10-24-6-4-5-7-27(24)20-29/h1-20,32H,21-23H2
InChIKeyVPPVDRIHJLMJAC-UHFFFAOYSA-N
XLogP9.69
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.58
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Methoxyphenyl)-2-methyl-7-(3-(4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)propoxy)-1,2,3,4-tetrahydroisoquinoline
CID 44430381
4-[2-(4-Cyanophenoxy)ethyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-(trifluoromethyl)benzonitrile
CID 44524667
1-(4-Naphthalen-2-yloxybutyl)-4-[4-(trifluoromethyl)phenyl]piperazine
CID 145982315
1-(4-Fluorophenyl)-4-(4-naphthalen-2-yloxybutyl)piperazine
CID 145981108
N-(4-methoxyphenyl)-N-butyl-(3-(naphthalen-2-yloxy) propyl) amine
CID 9998825
N-ethyl-4-methoxy-N-(3-naphthalen-2-yloxypropyl)aniline
CID 10427088
4-methoxy-N-(3-naphthalen-2-yloxypropyl)-N-propylaniline
CID 10427914
N-(4 methoxyphenyl)-N-methyl (3-(naphthalen-2-yloxy)propyl)amine
CID 11723603
VZ5W2L7WL6
CID 134562587
1-[2-[4-(5,6,7,8-Tetrahydronaphthalen-2-yloxymethyl)phenyl]ethyl]-4-[4-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 145968190
1-(2-Naphthalen-2-yloxyethyl)-4-[4-(trifluoromethyl)phenyl]piperazine
CID 145979698
1-(4-Fluorophenyl)-4-(3-naphthalen-2-yloxypropyl)piperazine
CID 145986688

Frequently Asked Questions

What is the IUPAC name of N-[2,2-bis[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[2,2-bis[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-N-phenylnaphthalen-2-amine (CID 57038754) is N-[2,2-bis[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[2,2-bis[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[2,2-bis[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-N-phenylnaphthalen-2-amine is FC(F)(F)COc1ccc(C(CN(c2ccccc2)c2ccc3ccccc3c2)c2ccc(OCC(F)(F)F)cc2)cc1.
What is the InChIKey of N-[2,2-bis[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-N-phenylnaphthalen-2-amine?
The InChIKey is VPPVDRIHJLMJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27F6NO2/c35-33(36,37)22-42-30-16-11-25(12-17-30)32(26-13-18-31(19-14-26)43-23-34(38,39)40)21-41(28-8-2-1-3-9-28)29-15-10-24-6-4-5-7-27(24)20-29/h1-20,32H,21-23H2.
What are the key properties of N-[2,2-bis[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-N-phenylnaphthalen-2-amine?
N-[2,2-bis[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-N-phenylnaphthalen-2-amine has a molecular weight of 595.58 g/mol, XLogP of 9.69, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-bis[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 57038754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).