2-benzyl-N-(3,3,3-trifluoropropyl)aniline

C16H16F3N — CID 64554179

IUPAC2-benzyl-N-(3,3,3-trifluoropropyl)aniline
SMILESFC(F)(F)CCNc1ccccc1Cc1ccccc1
InChIInChI=1S/C16H16F3N/c17-16(18,19)10-11-20-15-9-5-4-8-14(15)12-13-6-2-1-3-7-13/h1-9,20H,10-12H2
InChIKeyRFDAZRGYCRPKAF-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.64
Rot. Bonds5

About 2-benzyl-N-(3,3,3-trifluoropropyl)aniline

2-benzyl-N-(3,3,3-trifluoropropyl)aniline (PubChem CID 64554179) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-benzyl-N-(3,3,3-trifluoropropyl)aniline.

Molecular Properties

Compound Name2-benzyl-N-(3,3,3-trifluoropropyl)aniline
PubChem CID64554179
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name2-benzyl-N-(3,3,3-trifluoropropyl)aniline
SMILESFC(F)(F)CCNc1ccccc1Cc1ccccc1
InChIInChI=1S/C16H16F3N/c17-16(18,19)10-11-20-15-9-5-4-8-14(15)12-13-6-2-1-3-7-13/h1-9,20H,10-12H2
InChIKeyRFDAZRGYCRPKAF-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-N-(3-fluoropropyl)aniline
CID 81106198
2-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)aniline
CID 102847349
2-benzyl-N-pent-3-ynylaniline
CID 104806026
4-(2-benzylanilino)butanenitrile
CID 28578029
2-benzyl-N-(3-methylsulfanylpropyl)aniline
CID 28534154
2-benzyl-N-[2-(4-methylphenyl)ethyl]aniline
CID 22457026
N-benzyl-2-[[3-[[2-(benzylamino)phenyl]methyl]phenyl]methyl]aniline
CID 11525647
2-benzyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 11437461
4-[(2-chlorophenyl)methyl]-1-N-(3,3,3-trifluoropropyl)benzene-1,2-diamine
CID 174942627
2-benzyl-N-hept-6-enylaniline
CID 107006464
N-(2-benzylphenyl)hydroxylamine
CID 3014197
N-(2-benzylphenyl)thiohydroxylamine
CID 88608695

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(3,3,3-trifluoropropyl)aniline?
The IUPAC name of 2-benzyl-N-(3,3,3-trifluoropropyl)aniline (CID 64554179) is 2-benzyl-N-(3,3,3-trifluoropropyl)aniline.
What is the SMILES notation for 2-benzyl-N-(3,3,3-trifluoropropyl)aniline?
The canonical SMILES for 2-benzyl-N-(3,3,3-trifluoropropyl)aniline is FC(F)(F)CCNc1ccccc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-(3,3,3-trifluoropropyl)aniline?
The InChIKey is RFDAZRGYCRPKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c17-16(18,19)10-11-20-15-9-5-4-8-14(15)12-13-6-2-1-3-7-13/h1-9,20H,10-12H2.
What are the key properties of 2-benzyl-N-(3,3,3-trifluoropropyl)aniline?
2-benzyl-N-(3,3,3-trifluoropropyl)aniline has a molecular weight of 279.31 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(3,3,3-trifluoropropyl)aniline is sourced from PubChem (CID 64554179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).