1-(4-fluorophenyl)-N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine

C23H25F2N3 — CID 127045285

IUPAC1-(4-fluorophenyl)-N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine
SMILESCN(Cc1ccc(F)cc1)Cc1ccc(CN(C)Cc2ccc(F)cc2)nc1
InChIInChI=1S/C23H25F2N3/c1-27(14-18-3-8-21(24)9-4-18)16-20-7-12-23(26-13-20)17-28(2)15-19-5-10-22(25)11-6-19/h3-13H,14-17H2,1-2H3
InChIKeyUWWMNKNYIBCQGL-UHFFFAOYSA-N
MW381.47 g/mol
LogP4.62
Rot. Bonds8

About 1-(4-fluorophenyl)-N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine

1-(4-fluorophenyl)-N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine (PubChem CID 127045285) has the molecular formula C23H25F2N3 and a molecular weight of 381.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine
PubChem CID127045285
Molecular FormulaC23H25F2N3
Molecular Weight381.47 g/mol
Exact Mass381.20
IUPAC Name1-(4-fluorophenyl)-N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine
SMILESCN(Cc1ccc(F)cc1)Cc1ccc(CN(C)Cc2ccc(F)cc2)nc1
InChIInChI=1S/C23H25F2N3/c1-27(14-18-3-8-21(24)9-4-18)16-20-7-12-23(26-13-20)17-28(2)15-19-5-10-22(25)11-6-19/h3-13H,14-17H2,1-2H3
InChIKeyUWWMNKNYIBCQGL-UHFFFAOYSA-N
XLogP4.62
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Triprolidine
CID 5282443
(+-)-Dimethindene
CID 21855
Pheniramine
CID 4761
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
Azatadine
CID 19861
Triprolidine Hydrochloride Anhydrous
CID 5702129
5-Ethyl-2-methylpyridine
CID 7728
2-(3-Phenylpropyl)Pyridine
CID 459494
4,4'-Dimethyl-2,2'-bipyridine
CID 14338
2,3'-Bipyridine
CID 11389
Nicotyrine
CID 10249
2,3-Diphenylpyrazine
CID 243907

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine (CID 127045285) is 1-(4-fluorophenyl)-N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine is CN(Cc1ccc(F)cc1)Cc1ccc(CN(C)Cc2ccc(F)cc2)nc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine?
The InChIKey is UWWMNKNYIBCQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3/c1-27(14-18-3-8-21(24)9-4-18)16-20-7-12-23(26-13-20)17-28(2)15-19-5-10-22(25)11-6-19/h3-13H,14-17H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine?
1-(4-fluorophenyl)-N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine has a molecular weight of 381.47 g/mol, XLogP of 4.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine is sourced from PubChem (CID 127045285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).