N-[(4-fluorophenyl)methyl]-1-[4-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine

C24H26F2N2 — CID 127045446

IUPACN-[(4-fluorophenyl)methyl]-1-[4-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
SMILESCN(Cc1ccc(F)cc1)Cc1ccc(CN(C)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C24H26F2N2/c1-27(17-21-7-11-23(25)12-8-21)15-19-3-5-20(6-4-19)16-28(2)18-22-9-13-24(26)14-10-22/h3-14H,15-18H2,1-2H3
InChIKeyCKLCVUQWKGNXNN-UHFFFAOYSA-N
MW380.48 g/mol
LogP5.23
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-1-[4-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine

N-[(4-fluorophenyl)methyl]-1-[4-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine (PubChem CID 127045446) has the molecular formula C24H26F2N2 and a molecular weight of 380.48 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-[4-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-[4-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
PubChem CID127045446
Molecular FormulaC24H26F2N2
Molecular Weight380.48 g/mol
Exact Mass380.21
IUPAC NameN-[(4-fluorophenyl)methyl]-1-[4-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
SMILESCN(Cc1ccc(F)cc1)Cc1ccc(CN(C)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C24H26F2N2/c1-27(17-21-7-11-23(25)12-8-21)15-19-3-5-20(6-4-19)16-28(2)18-22-9-13-24(26)14-10-22/h3-14H,15-18H2,1-2H3
InChIKeyCKLCVUQWKGNXNN-UHFFFAOYSA-N
XLogP5.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.48
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-[4-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-[4-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine (CID 127045446) is N-[(4-fluorophenyl)methyl]-1-[4-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-[4-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-[4-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine is CN(Cc1ccc(F)cc1)Cc1ccc(CN(C)Cc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-[4-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine?
The InChIKey is CKLCVUQWKGNXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N2/c1-27(17-21-7-11-23(25)12-8-21)15-19-3-5-20(6-4-19)16-28(2)18-22-9-13-24(26)14-10-22/h3-14H,15-18H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-[4-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine?
N-[(4-fluorophenyl)methyl]-1-[4-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine has a molecular weight of 380.48 g/mol, XLogP of 5.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-[4-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 127045446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).