N-[(2-chloro-4-fluorophenyl)methyl]-1-phenyl-N-[(4-phenylphenyl)methyl]methanamine

C27H23ClFN — CID 46202604

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-1-phenyl-N-[(4-phenylphenyl)methyl]methanamine
SMILESFc1ccc(CN(Cc2ccccc2)Cc2ccc(-c3ccccc3)cc2)c(Cl)c1
InChIInChI=1S/C27H23ClFN/c28-27-17-26(29)16-15-25(27)20-30(18-21-7-3-1-4-8-21)19-22-11-13-24(14-12-22)23-9-5-2-6-10-23/h1-17H,18-20H2
InChIKeyMUGKNTHVZYSDIV-UHFFFAOYSA-N
MW415.94 g/mol
LogP7.35
Rot. Bonds7

About N-[(2-chloro-4-fluorophenyl)methyl]-1-phenyl-N-[(4-phenylphenyl)methyl]methanamine

N-[(2-chloro-4-fluorophenyl)methyl]-1-phenyl-N-[(4-phenylphenyl)methyl]methanamine (PubChem CID 46202604) has the molecular formula C27H23ClFN and a molecular weight of 415.94 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-1-phenyl-N-[(4-phenylphenyl)methyl]methanamine.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-1-phenyl-N-[(4-phenylphenyl)methyl]methanamine
PubChem CID46202604
Molecular FormulaC27H23ClFN
Molecular Weight415.94 g/mol
Exact Mass415.15
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-1-phenyl-N-[(4-phenylphenyl)methyl]methanamine
SMILESFc1ccc(CN(Cc2ccccc2)Cc2ccc(-c3ccccc3)cc2)c(Cl)c1
InChIInChI=1S/C27H23ClFN/c28-27-17-26(29)16-15-25(27)20-30(18-21-7-3-1-4-8-21)19-22-11-13-24(14-12-22)23-9-5-2-6-10-23/h1-17H,18-20H2
InChIKeyMUGKNTHVZYSDIV-UHFFFAOYSA-N
XLogP7.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.94
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-1-phenyl-N-[(4-phenylphenyl)methyl]methanamine?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-1-phenyl-N-[(4-phenylphenyl)methyl]methanamine (CID 46202604) is N-[(2-chloro-4-fluorophenyl)methyl]-1-phenyl-N-[(4-phenylphenyl)methyl]methanamine.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-1-phenyl-N-[(4-phenylphenyl)methyl]methanamine?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-1-phenyl-N-[(4-phenylphenyl)methyl]methanamine is Fc1ccc(CN(Cc2ccccc2)Cc2ccc(-c3ccccc3)cc2)c(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-1-phenyl-N-[(4-phenylphenyl)methyl]methanamine?
The InChIKey is MUGKNTHVZYSDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClFN/c28-27-17-26(29)16-15-25(27)20-30(18-21-7-3-1-4-8-21)19-22-11-13-24(14-12-22)23-9-5-2-6-10-23/h1-17H,18-20H2.
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-1-phenyl-N-[(4-phenylphenyl)methyl]methanamine?
N-[(2-chloro-4-fluorophenyl)methyl]-1-phenyl-N-[(4-phenylphenyl)methyl]methanamine has a molecular weight of 415.94 g/mol, XLogP of 7.35, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-1-phenyl-N-[(4-phenylphenyl)methyl]methanamine is sourced from PubChem (CID 46202604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).