N-(dicyclopropylmethyl)-2-(trifluoromethyl)aniline

C14H16F3N — CID 43362736

IUPACN-(dicyclopropylmethyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccccc1NC(C1CC1)C1CC1
InChIInChI=1S/C14H16F3N/c15-14(16,17)11-3-1-2-4-12(11)18-13(9-5-6-9)10-7-8-10/h1-4,9-10,13,18H,5-8H2
InChIKeyGXFIPDLNJIFUMR-UHFFFAOYSA-N
MW255.28 g/mol
LogP4.31
Rot. Bonds4

About N-(dicyclopropylmethyl)-2-(trifluoromethyl)aniline

N-(dicyclopropylmethyl)-2-(trifluoromethyl)aniline (PubChem CID 43362736) has the molecular formula C14H16F3N and a molecular weight of 255.28 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-(trifluoromethyl)aniline
PubChem CID43362736
Molecular FormulaC14H16F3N
Molecular Weight255.28 g/mol
Exact Mass255.12
IUPAC NameN-(dicyclopropylmethyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccccc1NC(C1CC1)C1CC1
InChIInChI=1S/C14H16F3N/c15-14(16,17)11-3-1-2-4-12(11)18-13(9-5-6-9)10-7-8-10/h1-4,9-10,13,18H,5-8H2
InChIKeyGXFIPDLNJIFUMR-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclopropyl(phenyl)methyl]-2-(trifluoromethyl)aniline
CID 63418971
N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 43691388
2-bromo-N-(dicyclopropylmethyl)aniline
CID 43362785
1-cyclopentyl-N-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 106738164
N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline
CID 63540889
N-(dicyclopropylmethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 43111630
2-cyclohexyl-2-[2-(trifluoromethyl)anilino]acetic acid
CID 62315278
N-(dicyclopropylmethyl)-4-nitro-2-(trifluoromethyl)aniline
CID 61482384
2-benzyl-N-(dicyclopropylmethyl)aniline
CID 43362769
N-[2-(trifluoromethyl)phenyl]thian-4-amine
CID 43511244
4-bromo-N-(dicyclopropylmethyl)-3-(trifluoromethyl)aniline
CID 43680432
N-(3-methylcyclopentyl)-2-(trifluoromethyl)aniline
CID 64501837

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-(trifluoromethyl)aniline?
The IUPAC name of N-(dicyclopropylmethyl)-2-(trifluoromethyl)aniline (CID 43362736) is N-(dicyclopropylmethyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for N-(dicyclopropylmethyl)-2-(trifluoromethyl)aniline is FC(F)(F)c1ccccc1NC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-(trifluoromethyl)aniline?
The InChIKey is GXFIPDLNJIFUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N/c15-14(16,17)11-3-1-2-4-12(11)18-13(9-5-6-9)10-7-8-10/h1-4,9-10,13,18H,5-8H2.
What are the key properties of N-(dicyclopropylmethyl)-2-(trifluoromethyl)aniline?
N-(dicyclopropylmethyl)-2-(trifluoromethyl)aniline has a molecular weight of 255.28 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 43362736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).