N-benzyl-1-phenylmethanamine;2,2,2-trifluoroacetic acid

C16H16F3NO2 — CID 10903004

IUPACN-benzyl-1-phenylmethanamine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C14H15N.C2HF3O2/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;3-2(4,5)1(6)7/h1-10,15H,11-12H2;(H,6,7)
InChIKeyRGGPDHHEMZDRQW-UHFFFAOYSA-N
MW311.30 g/mol
LogP3.61
Rot. Bonds4

About N-benzyl-1-phenylmethanamine;2,2,2-trifluoroacetic acid

N-benzyl-1-phenylmethanamine;2,2,2-trifluoroacetic acid (PubChem CID 10903004) has the molecular formula C16H16F3NO2 and a molecular weight of 311.30 g/mol. Its IUPAC name is N-benzyl-1-phenylmethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-benzyl-1-phenylmethanamine;2,2,2-trifluoroacetic acid
PubChem CID10903004
Molecular FormulaC16H16F3NO2
Molecular Weight311.30 g/mol
Exact Mass311.11
IUPAC NameN-benzyl-1-phenylmethanamine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C14H15N.C2HF3O2/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;3-2(4,5)1(6)7/h1-10,15H,11-12H2;(H,6,7)
InChIKeyRGGPDHHEMZDRQW-UHFFFAOYSA-N
XLogP3.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-phenylmethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-benzyl-1-phenylmethanamine;2,2,2-trifluoroacetic acid (CID 10903004) is N-benzyl-1-phenylmethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-benzyl-1-phenylmethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-benzyl-1-phenylmethanamine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1ccc(CNCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-1-phenylmethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is RGGPDHHEMZDRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.C2HF3O2/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;3-2(4,5)1(6)7/h1-10,15H,11-12H2;(H,6,7).
What are the key properties of N-benzyl-1-phenylmethanamine;2,2,2-trifluoroacetic acid?
N-benzyl-1-phenylmethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 311.30 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-phenylmethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 10903004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).