N-[(3-fluorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine

C15H17FN2 — CID 751064

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
SMILESCN(CCc1ccccn1)Cc1cccc(F)c1
InChIInChI=1S/C15H17FN2/c1-18(10-8-15-7-2-3-9-17-15)12-13-5-4-6-14(16)11-13/h2-7,9,11H,8,10,12H2,1H3
InChIKeyIHBQMCXUNRWLBQ-UHFFFAOYSA-N
MW244.31 g/mol
LogP2.90
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine

N-[(3-fluorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine (PubChem CID 751064) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
PubChem CID751064
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
SMILESCN(CCc1ccccn1)Cc1cccc(F)c1
InChIInChI=1S/C15H17FN2/c1-18(10-8-15-7-2-3-9-17-15)12-13-5-4-6-14(16)11-13/h2-7,9,11H,8,10,12H2,1H3
InChIKeyIHBQMCXUNRWLBQ-UHFFFAOYSA-N
XLogP2.90
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine (CID 751064) is N-[(3-fluorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine is CN(CCc1ccccn1)Cc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine?
The InChIKey is IHBQMCXUNRWLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-18(10-8-15-7-2-3-9-17-15)12-13-5-4-6-14(16)11-13/h2-7,9,11H,8,10,12H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine?
N-[(3-fluorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine has a molecular weight of 244.31 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine is sourced from PubChem (CID 751064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).