N-benzyl-N-[(3-fluorophenyl)methyl]-1-phenylmethanamine

C21H20FN — CID 22197433

IUPACN-benzyl-N-[(3-fluorophenyl)methyl]-1-phenylmethanamine
SMILESFc1cccc(CN(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C21H20FN/c22-21-13-7-12-20(14-21)17-23(15-18-8-3-1-4-9-18)16-19-10-5-2-6-11-19/h1-14H,15-17H2
InChIKeyJTYZVASOOIJXIC-UHFFFAOYSA-N
MW305.40 g/mol
LogP5.03
Rot. Bonds6

About N-benzyl-N-[(3-fluorophenyl)methyl]-1-phenylmethanamine

N-benzyl-N-[(3-fluorophenyl)methyl]-1-phenylmethanamine (PubChem CID 22197433) has the molecular formula C21H20FN and a molecular weight of 305.40 g/mol. Its IUPAC name is N-benzyl-N-[(3-fluorophenyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-benzyl-N-[(3-fluorophenyl)methyl]-1-phenylmethanamine
PubChem CID22197433
Molecular FormulaC21H20FN
Molecular Weight305.40 g/mol
Exact Mass305.16
IUPAC NameN-benzyl-N-[(3-fluorophenyl)methyl]-1-phenylmethanamine
SMILESFc1cccc(CN(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C21H20FN/c22-21-13-7-12-20(14-21)17-23(15-18-8-3-1-4-9-18)16-19-10-5-2-6-11-19/h1-14H,15-17H2
InChIKeyJTYZVASOOIJXIC-UHFFFAOYSA-N
XLogP5.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.40
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(3-fluorophenyl)methyl]-1-phenylmethanamine?
The IUPAC name of N-benzyl-N-[(3-fluorophenyl)methyl]-1-phenylmethanamine (CID 22197433) is N-benzyl-N-[(3-fluorophenyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-benzyl-N-[(3-fluorophenyl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-benzyl-N-[(3-fluorophenyl)methyl]-1-phenylmethanamine is Fc1cccc(CN(Cc2ccccc2)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-N-[(3-fluorophenyl)methyl]-1-phenylmethanamine?
The InChIKey is JTYZVASOOIJXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN/c22-21-13-7-12-20(14-21)17-23(15-18-8-3-1-4-9-18)16-19-10-5-2-6-11-19/h1-14H,15-17H2.
What are the key properties of N-benzyl-N-[(3-fluorophenyl)methyl]-1-phenylmethanamine?
N-benzyl-N-[(3-fluorophenyl)methyl]-1-phenylmethanamine has a molecular weight of 305.40 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(3-fluorophenyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 22197433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).