N-[2-(1-benzofuran-2-yl)ethyl]-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2,2-diphenylethanamine

C32H27ClF3NO — CID 67497118

IUPACN-[2-(1-benzofuran-2-yl)ethyl]-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2,2-diphenylethanamine
SMILESFC(F)(F)c1cccc(CN(CCc2cc3ccccc3o2)CC(c2ccccc2)c2ccccc2)c1Cl
InChIInChI=1S/C32H27ClF3NO/c33-31-26(15-9-16-29(31)32(34,35)36)21-37(19-18-27-20-25-14-7-8-17-30(25)38-27)22-28(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-17,20,28H,18-19,21-22H2
InChIKeyOJYYTHXAGVNJSW-UHFFFAOYSA-N
MW534.02 g/mol
LogP8.98
Rot. Bonds9

About N-[2-(1-benzofuran-2-yl)ethyl]-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2,2-diphenylethanamine

N-[2-(1-benzofuran-2-yl)ethyl]-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2,2-diphenylethanamine (PubChem CID 67497118) has the molecular formula C32H27ClF3NO and a molecular weight of 534.02 g/mol. Its IUPAC name is N-[2-(1-benzofuran-2-yl)ethyl]-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2,2-diphenylethanamine.

Molecular Properties

Compound NameN-[2-(1-benzofuran-2-yl)ethyl]-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2,2-diphenylethanamine
PubChem CID67497118
Molecular FormulaC32H27ClF3NO
Molecular Weight534.02 g/mol
Exact Mass533.17
IUPAC NameN-[2-(1-benzofuran-2-yl)ethyl]-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2,2-diphenylethanamine
SMILESFC(F)(F)c1cccc(CN(CCc2cc3ccccc3o2)CC(c2ccccc2)c2ccccc2)c1Cl
InChIInChI=1S/C32H27ClF3NO/c33-31-26(15-9-16-29(31)32(34,35)36)21-37(19-18-27-20-25-14-7-8-17-30(25)38-27)22-28(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-17,20,28H,18-19,21-22H2
InChIKeyOJYYTHXAGVNJSW-UHFFFAOYSA-N
XLogP8.98
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.02
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]butan-2-ol;ethane
CID 144886289
6-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]hexan-1-amine
CID 69254388
[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]methanol
CID 59701399
2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]acetaldehyde
CID 86598296
3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]benzonitrile
CID 10239707
3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]-N-propan-2-ylaniline
CID 10196733
3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]-4-methylbenzoic acid
CID 10289895
2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 118224526
(2S)-2-[2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]ethylamino]propanoic acid
CID 69254334
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-[(6-morpholin-4-yl-2-pyridinyl)oxy]propan-1-amine
CID 10196907
2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]-1,2-oxazol-5-yl]-N,N-di(propan-2-yl)acetamide
CID 90740093
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-[3-[(4-methylpiperazin-1-yl)methyl]phenoxy]propan-1-amine
CID 69251679

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-2-yl)ethyl]-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2,2-diphenylethanamine?
The IUPAC name of N-[2-(1-benzofuran-2-yl)ethyl]-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2,2-diphenylethanamine (CID 67497118) is N-[2-(1-benzofuran-2-yl)ethyl]-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2,2-diphenylethanamine.
What is the SMILES notation for N-[2-(1-benzofuran-2-yl)ethyl]-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2,2-diphenylethanamine?
The canonical SMILES for N-[2-(1-benzofuran-2-yl)ethyl]-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2,2-diphenylethanamine is FC(F)(F)c1cccc(CN(CCc2cc3ccccc3o2)CC(c2ccccc2)c2ccccc2)c1Cl.
What is the InChIKey of N-[2-(1-benzofuran-2-yl)ethyl]-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2,2-diphenylethanamine?
The InChIKey is OJYYTHXAGVNJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27ClF3NO/c33-31-26(15-9-16-29(31)32(34,35)36)21-37(19-18-27-20-25-14-7-8-17-30(25)38-27)22-28(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-17,20,28H,18-19,21-22H2.
What are the key properties of N-[2-(1-benzofuran-2-yl)ethyl]-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2,2-diphenylethanamine?
N-[2-(1-benzofuran-2-yl)ethyl]-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2,2-diphenylethanamine has a molecular weight of 534.02 g/mol, XLogP of 8.98, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-2-yl)ethyl]-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2,2-diphenylethanamine is sourced from PubChem (CID 67497118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).