N-[(2-fluorophenyl)methyl]-1-[6-[[(2-fluorophenyl)methyl-methylamino]methyl]-3-pyridinyl]-N-methylmethanamine

C23H25F2N3 — CID 127045283

IUPACN-[(2-fluorophenyl)methyl]-1-[6-[[(2-fluorophenyl)methyl-methylamino]methyl]-3-pyridinyl]-N-methylmethanamine
SMILESCN(Cc1ccc(CN(C)Cc2ccccc2F)nc1)Cc1ccccc1F
InChIInChI=1S/C23H25F2N3/c1-27(15-19-7-3-5-9-22(19)24)14-18-11-12-21(26-13-18)17-28(2)16-20-8-4-6-10-23(20)25/h3-13H,14-17H2,1-2H3
InChIKeyXIKLXUKXPZRSMS-UHFFFAOYSA-N
MW381.47 g/mol
LogP4.62
Rot. Bonds8

About N-[(2-fluorophenyl)methyl]-1-[6-[[(2-fluorophenyl)methyl-methylamino]methyl]-3-pyridinyl]-N-methylmethanamine

N-[(2-fluorophenyl)methyl]-1-[6-[[(2-fluorophenyl)methyl-methylamino]methyl]-3-pyridinyl]-N-methylmethanamine (PubChem CID 127045283) has the molecular formula C23H25F2N3 and a molecular weight of 381.47 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-[6-[[(2-fluorophenyl)methyl-methylamino]methyl]-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-[6-[[(2-fluorophenyl)methyl-methylamino]methyl]-3-pyridinyl]-N-methylmethanamine
PubChem CID127045283
Molecular FormulaC23H25F2N3
Molecular Weight381.47 g/mol
Exact Mass381.20
IUPAC NameN-[(2-fluorophenyl)methyl]-1-[6-[[(2-fluorophenyl)methyl-methylamino]methyl]-3-pyridinyl]-N-methylmethanamine
SMILESCN(Cc1ccc(CN(C)Cc2ccccc2F)nc1)Cc1ccccc1F
InChIInChI=1S/C23H25F2N3/c1-27(15-19-7-3-5-9-22(19)24)14-18-11-12-21(26-13-18)17-28(2)16-20-8-4-6-10-23(20)25/h3-13H,14-17H2,1-2H3
InChIKeyXIKLXUKXPZRSMS-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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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-[6-[[(2-fluorophenyl)methyl-methylamino]methyl]-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-[6-[[(2-fluorophenyl)methyl-methylamino]methyl]-3-pyridinyl]-N-methylmethanamine (CID 127045283) is N-[(2-fluorophenyl)methyl]-1-[6-[[(2-fluorophenyl)methyl-methylamino]methyl]-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-[6-[[(2-fluorophenyl)methyl-methylamino]methyl]-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-[6-[[(2-fluorophenyl)methyl-methylamino]methyl]-3-pyridinyl]-N-methylmethanamine is CN(Cc1ccc(CN(C)Cc2ccccc2F)nc1)Cc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-[6-[[(2-fluorophenyl)methyl-methylamino]methyl]-3-pyridinyl]-N-methylmethanamine?
The InChIKey is XIKLXUKXPZRSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3/c1-27(15-19-7-3-5-9-22(19)24)14-18-11-12-21(26-13-18)17-28(2)16-20-8-4-6-10-23(20)25/h3-13H,14-17H2,1-2H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-1-[6-[[(2-fluorophenyl)methyl-methylamino]methyl]-3-pyridinyl]-N-methylmethanamine?
N-[(2-fluorophenyl)methyl]-1-[6-[[(2-fluorophenyl)methyl-methylamino]methyl]-3-pyridinyl]-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 N-[(2-fluorophenyl)methyl]-1-[6-[[(2-fluorophenyl)methyl-methylamino]methyl]-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 127045283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).