N-[(2-fluorophenyl)methyl]-N-(furan-3-ylmethyl)-1-pyridin-3-ylmethanamine

C18H17FN2O — CID 95857603

IUPACN-[(2-fluorophenyl)methyl]-N-(furan-3-ylmethyl)-1-pyridin-3-ylmethanamine
SMILESFc1ccccc1CN(Cc1cccnc1)Cc1ccoc1
InChIInChI=1S/C18H17FN2O/c19-18-6-2-1-5-17(18)13-21(12-16-7-9-22-14-16)11-15-4-3-8-20-10-15/h1-10,14H,11-13H2
InChIKeyJGZYEKRDORKSES-UHFFFAOYSA-N
MW296.35 g/mol
LogP4.02
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-N-(furan-3-ylmethyl)-1-pyridin-3-ylmethanamine

N-[(2-fluorophenyl)methyl]-N-(furan-3-ylmethyl)-1-pyridin-3-ylmethanamine (PubChem CID 95857603) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-(furan-3-ylmethyl)-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-(furan-3-ylmethyl)-1-pyridin-3-ylmethanamine
PubChem CID95857603
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC NameN-[(2-fluorophenyl)methyl]-N-(furan-3-ylmethyl)-1-pyridin-3-ylmethanamine
SMILESFc1ccccc1CN(Cc1cccnc1)Cc1ccoc1
InChIInChI=1S/C18H17FN2O/c19-18-6-2-1-5-17(18)13-21(12-16-7-9-22-14-16)11-15-4-3-8-20-10-15/h1-10,14H,11-13H2
InChIKeyJGZYEKRDORKSES-UHFFFAOYSA-N
XLogP4.02
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 54.02
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]-N-(furan-3-ylmethyl)-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-(furan-3-ylmethyl)-1-pyridin-3-ylmethanamine (CID 95857603) is N-[(2-fluorophenyl)methyl]-N-(furan-3-ylmethyl)-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-(furan-3-ylmethyl)-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-(furan-3-ylmethyl)-1-pyridin-3-ylmethanamine is Fc1ccccc1CN(Cc1cccnc1)Cc1ccoc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-(furan-3-ylmethyl)-1-pyridin-3-ylmethanamine?
The InChIKey is JGZYEKRDORKSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c19-18-6-2-1-5-17(18)13-21(12-16-7-9-22-14-16)11-15-4-3-8-20-10-15/h1-10,14H,11-13H2.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-(furan-3-ylmethyl)-1-pyridin-3-ylmethanamine?
N-[(2-fluorophenyl)methyl]-N-(furan-3-ylmethyl)-1-pyridin-3-ylmethanamine has a molecular weight of 296.35 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-(furan-3-ylmethyl)-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 95857603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).