N-[(2-chloro-3-fluorophenyl)methyl]-6-ethoxypyridin-3-amine

C14H14ClFN2O — CID 112652175

IUPACN-[(2-chloro-3-fluorophenyl)methyl]-6-ethoxypyridin-3-amine
SMILESCCOc1ccc(NCc2cccc(F)c2Cl)cn1
InChIInChI=1S/C14H14ClFN2O/c1-2-19-13-7-6-11(9-18-13)17-8-10-4-3-5-12(16)14(10)15/h3-7,9,17H,2,8H2,1H3
InChIKeyMIRQZFDCXUGKIW-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.88
Rot. Bonds5

About N-[(2-chloro-3-fluorophenyl)methyl]-6-ethoxypyridin-3-amine

N-[(2-chloro-3-fluorophenyl)methyl]-6-ethoxypyridin-3-amine (PubChem CID 112652175) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is N-[(2-chloro-3-fluorophenyl)methyl]-6-ethoxypyridin-3-amine.

Molecular Properties

Compound NameN-[(2-chloro-3-fluorophenyl)methyl]-6-ethoxypyridin-3-amine
PubChem CID112652175
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC NameN-[(2-chloro-3-fluorophenyl)methyl]-6-ethoxypyridin-3-amine
SMILESCCOc1ccc(NCc2cccc(F)c2Cl)cn1
InChIInChI=1S/C14H14ClFN2O/c1-2-19-13-7-6-11(9-18-13)17-8-10-4-3-5-12(16)14(10)15/h3-7,9,17H,2,8H2,1H3
InChIKeyMIRQZFDCXUGKIW-UHFFFAOYSA-N
XLogP3.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-3-fluorophenyl)methyl]-4-ethoxyaniline
CID 112651757
N-[(2-chloro-3-fluorophenyl)methyl]-3,4-difluoroaniline
CID 112651786
6-ethoxy-N-(isoquinolin-4-ylmethyl)pyridin-3-amine
CID 115748980
N-[(2-chloro-3-fluorophenyl)methyl]-3,4-dimethoxyaniline
CID 115982783
N-[(2,6-difluorophenyl)methyl]-6-(2-methoxyethoxy)pyridin-3-amine
CID 43688333
N-[(3-chloro-2-fluorophenyl)methyl]-4-ethoxy-3-fluoroaniline
CID 114487683
3-bromo-N-[(2-chloro-3-fluorophenyl)methyl]-5-methoxyaniline
CID 112652219
4-chloro-N-[(2-ethoxyphenyl)methyl]aniline
CID 900682
N-[(2-chloro-3-fluorophenyl)methyl]thiophen-3-amine
CID 112652146
5-chloro-2-ethoxypyridine
CID 4738274
2-[(3-chloro-4-ethoxyanilino)methyl]-6-fluorophenol
CID 115951574
1-(2-chloro-3-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 112652213

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-fluorophenyl)methyl]-6-ethoxypyridin-3-amine?
The IUPAC name of N-[(2-chloro-3-fluorophenyl)methyl]-6-ethoxypyridin-3-amine (CID 112652175) is N-[(2-chloro-3-fluorophenyl)methyl]-6-ethoxypyridin-3-amine.
What is the SMILES notation for N-[(2-chloro-3-fluorophenyl)methyl]-6-ethoxypyridin-3-amine?
The canonical SMILES for N-[(2-chloro-3-fluorophenyl)methyl]-6-ethoxypyridin-3-amine is CCOc1ccc(NCc2cccc(F)c2Cl)cn1.
What is the InChIKey of N-[(2-chloro-3-fluorophenyl)methyl]-6-ethoxypyridin-3-amine?
The InChIKey is MIRQZFDCXUGKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-2-19-13-7-6-11(9-18-13)17-8-10-4-3-5-12(16)14(10)15/h3-7,9,17H,2,8H2,1H3.
What are the key properties of N-[(2-chloro-3-fluorophenyl)methyl]-6-ethoxypyridin-3-amine?
N-[(2-chloro-3-fluorophenyl)methyl]-6-ethoxypyridin-3-amine has a molecular weight of 280.73 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-fluorophenyl)methyl]-6-ethoxypyridin-3-amine is sourced from PubChem (CID 112652175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).