N-[cyclopropyl(phenyl)methyl]-2,4,5-trifluoroaniline

C16H14F3N — CID 62814505

IUPACN-[cyclopropyl(phenyl)methyl]-2,4,5-trifluoroaniline
SMILESFc1cc(F)c(NC(c2ccccc2)C2CC2)cc1F
InChIInChI=1S/C16H14F3N/c17-12-8-14(19)15(9-13(12)18)20-16(11-6-7-11)10-4-2-1-3-5-10/h1-5,8-9,11,16,20H,6-7H2
InChIKeyWTNZMGYYNMLNRF-UHFFFAOYSA-N
MW277.29 g/mol
LogP4.67
Rot. Bonds4

About N-[cyclopropyl(phenyl)methyl]-2,4,5-trifluoroaniline

N-[cyclopropyl(phenyl)methyl]-2,4,5-trifluoroaniline (PubChem CID 62814505) has the molecular formula C16H14F3N and a molecular weight of 277.29 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-2,4,5-trifluoroaniline.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-2,4,5-trifluoroaniline
PubChem CID62814505
Molecular FormulaC16H14F3N
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC NameN-[cyclopropyl(phenyl)methyl]-2,4,5-trifluoroaniline
SMILESFc1cc(F)c(NC(c2ccccc2)C2CC2)cc1F
InChIInChI=1S/C16H14F3N/c17-12-8-14(19)15(9-13(12)18)20-16(11-6-7-11)10-4-2-1-3-5-10/h1-5,8-9,11,16,20H,6-7H2
InChIKeyWTNZMGYYNMLNRF-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[cyclopropyl(thiophen-2-yl)methyl]-2,4,5-trifluoroaniline
CID 55118586
N-[(R)-cyclopropyl(phenyl)methyl]-2-fluoro-4-nitroaniline
CID 94156800
N-[cyclohexyl(phenyl)methyl]-2-fluoroaniline
CID 43094793
2-bromo-N-[cyclopropyl(phenyl)methyl]-5-fluoroaniline
CID 107633312
N-[(4-chlorophenyl)-cyclopropylmethyl]-2,5-difluoro-4-methylaniline
CID 103584657
N-[cyclopropyl(phenyl)methyl]-2-(trifluoromethyl)aniline
CID 63418971
4-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-2,5-difluoroaniline
CID 107609519
3,5-dichloro-N-[cyclopropyl(phenyl)methyl]-4-fluoroaniline
CID 107572890
N-[cyclopropyl-(4-methylphenyl)methyl]-2-fluoro-5-methylaniline
CID 43772771
N-[cyclopropyl(phenyl)methyl]-4-fluoro-2-nitroaniline
CID 60706732
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-fluoroaniline
CID 43777577

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-2,4,5-trifluoroaniline?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-2,4,5-trifluoroaniline (CID 62814505) is N-[cyclopropyl(phenyl)methyl]-2,4,5-trifluoroaniline.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-2,4,5-trifluoroaniline?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-2,4,5-trifluoroaniline is Fc1cc(F)c(NC(c2ccccc2)C2CC2)cc1F.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-2,4,5-trifluoroaniline?
The InChIKey is WTNZMGYYNMLNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N/c17-12-8-14(19)15(9-13(12)18)20-16(11-6-7-11)10-4-2-1-3-5-10/h1-5,8-9,11,16,20H,6-7H2.
What are the key properties of N-[cyclopropyl(phenyl)methyl]-2,4,5-trifluoroaniline?
N-[cyclopropyl(phenyl)methyl]-2,4,5-trifluoroaniline has a molecular weight of 277.29 g/mol, XLogP of 4.67, 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]-2,4,5-trifluoroaniline is sourced from PubChem (CID 62814505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).