N-[cyclopropyl(phenyl)methyl]-2-(trifluoromethyl)aniline

C17H16F3N — CID 63418971

IUPACN-[cyclopropyl(phenyl)methyl]-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccccc1NC(c1ccccc1)C1CC1
InChIInChI=1S/C17H16F3N/c18-17(19,20)14-8-4-5-9-15(14)21-16(13-10-11-13)12-6-2-1-3-7-12/h1-9,13,16,21H,10-11H2
InChIKeyUGYZTDSDJJIQFG-UHFFFAOYSA-N
MW291.32 g/mol
LogP5.27
Rot. Bonds4

About N-[cyclopropyl(phenyl)methyl]-2-(trifluoromethyl)aniline

N-[cyclopropyl(phenyl)methyl]-2-(trifluoromethyl)aniline (PubChem CID 63418971) has the molecular formula C17H16F3N and a molecular weight of 291.32 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-2-(trifluoromethyl)aniline
PubChem CID63418971
Molecular FormulaC17H16F3N
Molecular Weight291.32 g/mol
Exact Mass291.12
IUPAC NameN-[cyclopropyl(phenyl)methyl]-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccccc1NC(c1ccccc1)C1CC1
InChIInChI=1S/C17H16F3N/c18-17(19,20)14-8-4-5-9-15(14)21-16(13-10-11-13)12-6-2-1-3-7-12/h1-9,13,16,21H,10-11H2
InChIKeyUGYZTDSDJJIQFG-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.32
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(dicyclopropylmethyl)-2-(trifluoromethyl)aniline
CID 43362736
N-[cyclopropyl(phenyl)methyl]-2,4,5-trifluoroaniline
CID 62814505
N-[cyclohexyl(phenyl)methyl]-2-fluoroaniline
CID 43094793
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
2-bromo-N-[cyclopropyl(phenyl)methyl]-5-fluoroaniline
CID 107633312
2-cyclohexyl-2-[2-(trifluoromethyl)anilino]acetic acid
CID 62315278
1-cyclopentyl-N-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 106738164
[cyclopropyl(phenyl)methyl]hydrazine
CID 53403097
N-[cyclopropyl(phenyl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 63454223
2-chloro-N-[cyclopropyl(phenyl)methyl]-4-iodoaniline
CID 55199390
N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline
CID 63540889
4-bromo-2-N-[cyclopropyl(phenyl)methyl]benzene-1,2-diamine
CID 135227866

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-2-(trifluoromethyl)aniline?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-2-(trifluoromethyl)aniline (CID 63418971) is N-[cyclopropyl(phenyl)methyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-2-(trifluoromethyl)aniline is FC(F)(F)c1ccccc1NC(c1ccccc1)C1CC1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-2-(trifluoromethyl)aniline?
The InChIKey is UGYZTDSDJJIQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N/c18-17(19,20)14-8-4-5-9-15(14)21-16(13-10-11-13)12-6-2-1-3-7-12/h1-9,13,16,21H,10-11H2.
What are the key properties of N-[cyclopropyl(phenyl)methyl]-2-(trifluoromethyl)aniline?
N-[cyclopropyl(phenyl)methyl]-2-(trifluoromethyl)aniline has a molecular weight of 291.32 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 63418971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).