N-[(4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-1-azacycloundecen-2-amine

C24H28ClF3N2 — CID 19771640

IUPACN-[(4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-1-azacycloundecen-2-amine
SMILESFC(F)(F)c1cccc(C(N/C2=N/CCCCCCCCC2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H28ClF3N2/c25-21-14-12-18(13-15-21)23(19-9-8-10-20(17-19)24(26,27)28)30-22-11-6-4-2-1-3-5-7-16-29-22/h8-10,12-15,17,23H,1-7,11,16H2,(H,29,30)
InChIKeyDDFXOXSFEZCJSF-UHFFFAOYSA-N
MW436.95 g/mol
LogP7.57
Rot. Bonds3

About N-[(4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-1-azacycloundecen-2-amine

N-[(4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-1-azacycloundecen-2-amine (PubChem CID 19771640) has the molecular formula C24H28ClF3N2 and a molecular weight of 436.95 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-1-azacycloundecen-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-1-azacycloundecen-2-amine
PubChem CID19771640
Molecular FormulaC24H28ClF3N2
Molecular Weight436.95 g/mol
Exact Mass436.19
IUPAC NameN-[(4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-1-azacycloundecen-2-amine
SMILESFC(F)(F)c1cccc(C(N/C2=N/CCCCCCCCC2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H28ClF3N2/c25-21-14-12-18(13-15-21)23(19-9-8-10-20(17-19)24(26,27)28)30-22-11-6-4-2-1-3-5-7-16-29-22/h8-10,12-15,17,23H,1-7,11,16H2,(H,29,30)
InChIKeyDDFXOXSFEZCJSF-UHFFFAOYSA-N
XLogP7.57
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.95
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5S)-2-[2-(2-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44388794
(4R,5S)-2-[2-(3-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44388802
(4s,5r)-4,5-Bis(4-Chlorophenyl)-2-Methyl-4,5-Dihydro-1h-Imidazole
CID 71816470
4-chloro-N-cyclohexyl-N'-methylbenzenecarboximidamide;hydrochloride
CID 15945810
(4R,5S)-2-[2-(4-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44388827
(4R,5S)-2,4,5-tris(4-chlorophenyl)-4,5-dihydro-1H-imidazole
CID 12980493
(4R,5S)-2-[(3-chlorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 11256503
(4R,5S)-2-[(2-chlorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44389006
(4R,5S)-2-[(4-chlorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44389030
TA-383
CID 131180
N-[(4-chlorophenyl)methyl]-N'-[[3-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine
CID 44534637
(4R,5S)-2-(4-chlorophenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 131181

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-1-azacycloundecen-2-amine?
The IUPAC name of N-[(4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-1-azacycloundecen-2-amine (CID 19771640) is N-[(4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-1-azacycloundecen-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-1-azacycloundecen-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-1-azacycloundecen-2-amine is FC(F)(F)c1cccc(C(N/C2=N/CCCCCCCCC2)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[(4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-1-azacycloundecen-2-amine?
The InChIKey is DDFXOXSFEZCJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClF3N2/c25-21-14-12-18(13-15-21)23(19-9-8-10-20(17-19)24(26,27)28)30-22-11-6-4-2-1-3-5-7-16-29-22/h8-10,12-15,17,23H,1-7,11,16H2,(H,29,30).
What are the key properties of N-[(4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-1-azacycloundecen-2-amine?
N-[(4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-1-azacycloundecen-2-amine has a molecular weight of 436.95 g/mol, XLogP of 7.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-1-azacycloundecen-2-amine is sourced from PubChem (CID 19771640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).