N-benzyl-3,5-bis(trifluoromethyl)aniline

C15H11F6N — CID 13339998

IUPACN-benzyl-3,5-bis(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(NCc2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H11F6N/c16-14(17,18)11-6-12(15(19,20)21)8-13(7-11)22-9-10-4-2-1-3-5-10/h1-8,22H,9H2
InChIKeyQFTNTXCQGYYIEJ-UHFFFAOYSA-N
MW319.25 g/mol
LogP5.34
Rot. Bonds3

About N-benzyl-3,5-bis(trifluoromethyl)aniline

N-benzyl-3,5-bis(trifluoromethyl)aniline (PubChem CID 13339998) has the molecular formula C15H11F6N and a molecular weight of 319.25 g/mol. Its IUPAC name is N-benzyl-3,5-bis(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-benzyl-3,5-bis(trifluoromethyl)aniline
PubChem CID13339998
Molecular FormulaC15H11F6N
Molecular Weight319.25 g/mol
Exact Mass319.08
IUPAC NameN-benzyl-3,5-bis(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(NCc2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H11F6N/c16-14(17,18)11-6-12(15(19,20)21)8-13(7-11)22-9-10-4-2-1-3-5-10/h1-8,22H,9H2
InChIKeyQFTNTXCQGYYIEJ-UHFFFAOYSA-N
XLogP5.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.25
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-(Trifluoromethyl)phenyl)piperazine
CID 4296
N-ethyl-3-methylaniline
CID 7603
N-(3-Methylphenyl)aniline
CID 14569
Benzylaniline
CID 66028
TFMPP hydrochloride
CID 3084246
N-(3-Methylphenyl)benzenemethanamine
CID 222281
N-benzyl-4-methylaniline
CID 79403
Benzenamine, N,3-dimethyl-
CID 69675
3-(Trifluoromethyl)-N-phenylaniline
CID 7548
1-(2-(Trifluoromethyl)phenyl)piperazine
CID 2777670
N1-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 3729763
N-(4-Fluorophenyl)-4-methylbenzylamine
CID 292877

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,5-bis(trifluoromethyl)aniline?
The IUPAC name of N-benzyl-3,5-bis(trifluoromethyl)aniline (CID 13339998) is N-benzyl-3,5-bis(trifluoromethyl)aniline.
What is the SMILES notation for N-benzyl-3,5-bis(trifluoromethyl)aniline?
The canonical SMILES for N-benzyl-3,5-bis(trifluoromethyl)aniline is FC(F)(F)c1cc(NCc2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of N-benzyl-3,5-bis(trifluoromethyl)aniline?
The InChIKey is QFTNTXCQGYYIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6N/c16-14(17,18)11-6-12(15(19,20)21)8-13(7-11)22-9-10-4-2-1-3-5-10/h1-8,22H,9H2.
What are the key properties of N-benzyl-3,5-bis(trifluoromethyl)aniline?
N-benzyl-3,5-bis(trifluoromethyl)aniline has a molecular weight of 319.25 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,5-bis(trifluoromethyl)aniline is sourced from PubChem (CID 13339998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).