N-[(3-fluorophenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine

C21H20FN — CID 134794023

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
SMILESCN(Cc1ccc(-c2ccccc2)cc1)Cc1cccc(F)c1
InChIInChI=1S/C21H20FN/c1-23(16-18-6-5-9-21(22)14-18)15-17-10-12-20(13-11-17)19-7-3-2-4-8-19/h2-14H,15-16H2,1H3
InChIKeyQCUXJLAARWQVIS-UHFFFAOYSA-N
MW305.40 g/mol
LogP5.12
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine

N-[(3-fluorophenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine (PubChem CID 134794023) has the molecular formula C21H20FN and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
PubChem CID134794023
Molecular FormulaC21H20FN
Molecular Weight305.40 g/mol
Exact Mass305.16
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
SMILESCN(Cc1ccc(-c2ccccc2)cc1)Cc1cccc(F)c1
InChIInChI=1S/C21H20FN/c1-23(16-18-6-5-9-21(22)14-18)15-17-10-12-20(13-11-17)19-7-3-2-4-8-19/h2-14H,15-16H2,1H3
InChIKeyQCUXJLAARWQVIS-UHFFFAOYSA-N
XLogP5.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.40
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine (CID 134794023) is N-[(3-fluorophenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine is CN(Cc1ccc(-c2ccccc2)cc1)Cc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine?
The InChIKey is QCUXJLAARWQVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN/c1-23(16-18-6-5-9-21(22)14-18)15-17-10-12-20(13-11-17)19-7-3-2-4-8-19/h2-14H,15-16H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine?
N-[(3-fluorophenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine has a molecular weight of 305.40 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine is sourced from PubChem (CID 134794023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).