N-[phenyl-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline

C31H31F3N2 — CID 20637533

IUPACN-[phenyl-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cccc(C(C)C)c1NC(c1ccccc1)c1cccc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C31H31F3N2/c1-20(2)23-15-10-16-24(21(3)4)30(23)36-29(22-12-6-5-7-13-22)28-19-11-18-27(35-28)25-14-8-9-17-26(25)31(32,33)34/h5-21,29,36H,1-4H3
InChIKeyDIVSSODWAWTWJB-UHFFFAOYSA-N
MW488.60 g/mol
LogP9.22
Rot. Bonds7

About N-[phenyl-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline

N-[phenyl-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline (PubChem CID 20637533) has the molecular formula C31H31F3N2 and a molecular weight of 488.60 g/mol. Its IUPAC name is N-[phenyl-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-[phenyl-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline
PubChem CID20637533
Molecular FormulaC31H31F3N2
Molecular Weight488.60 g/mol
Exact Mass488.24
IUPAC NameN-[phenyl-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cccc(C(C)C)c1NC(c1ccccc1)c1cccc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C31H31F3N2/c1-20(2)23-15-10-16-24(21(3)4)30(23)36-29(22-12-6-5-7-13-22)28-19-11-18-27(35-28)25-14-8-9-17-26(25)31(32,33)34/h5-21,29,36H,1-4H3
InChIKeyDIVSSODWAWTWJB-UHFFFAOYSA-N
XLogP9.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.60
LogP ≤ 59.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Dimethyl-N'-(2-naphthalen-2-YL-quinolin-4-YL)-ethane-1, 2-diamine
CID 454715
N-benzyl-7-methyl-1,2,3,4-tetrahydroacridin-9-amine
CID 10518487
4-(trifluoromethyl)-N-[[6-[[4-(trifluoromethyl)anilino]methyl]pyridin-2-yl]methyl]aniline
CID 21130228
2-ethyl-N-[[6-[(2-ethylanilino)methyl]-2-pyridinyl]methyl]aniline
CID 132578412
4-ethyl-N-[[6-[(4-ethylanilino)methyl]-2-pyridinyl]methyl]aniline
CID 132578413
6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-naphthalen-1-yl-1H-indole
CID 10546579
6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-naphthalen-2-yl-1H-indole
CID 10713670
N-[6-fluoro-2-(2-fluorophenyl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 15272240
N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine
CID 10450866
1-(4-fluoronaphthalen-1-yl)-N-(1H-indol-2-ylmethyl)ethanamine
CID 57385341
N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)hexane-1,6-diamine
CID 10000887
N-[2-(dimethylamino)ethyl]-2-(2-naphtyl)quinolin-4-amine
CID 10020216

Frequently Asked Questions

What is the IUPAC name of N-[phenyl-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline?
The IUPAC name of N-[phenyl-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline (CID 20637533) is N-[phenyl-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for N-[phenyl-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline?
The canonical SMILES for N-[phenyl-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline is CC(C)c1cccc(C(C)C)c1NC(c1ccccc1)c1cccc(-c2ccccc2C(F)(F)F)n1.
What is the InChIKey of N-[phenyl-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline?
The InChIKey is DIVSSODWAWTWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31F3N2/c1-20(2)23-15-10-16-24(21(3)4)30(23)36-29(22-12-6-5-7-13-22)28-19-11-18-27(35-28)25-14-8-9-17-26(25)31(32,33)34/h5-21,29,36H,1-4H3.
What are the key properties of N-[phenyl-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline?
N-[phenyl-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline has a molecular weight of 488.60 g/mol, XLogP of 9.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 20637533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).