1-[2-(3-chloro-2-fluorophenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine

C14H14ClFN2O — CID 116690035

IUPAC1-[2-(3-chloro-2-fluorophenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(C)nc(Oc2cccc(Cl)c2F)c1
InChIInChI=1S/C14H14ClFN2O/c1-9-6-10(8-17-2)7-13(18-9)19-12-5-3-4-11(15)14(12)16/h3-7,17H,8H2,1-2H3
InChIKeyMWCYUDFCGKLUKV-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.69
Rot. Bonds4

About 1-[2-(3-chloro-2-fluorophenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine

1-[2-(3-chloro-2-fluorophenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine (PubChem CID 116690035) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is 1-[2-(3-chloro-2-fluorophenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-chloro-2-fluorophenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine
PubChem CID116690035
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name1-[2-(3-chloro-2-fluorophenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(C)nc(Oc2cccc(Cl)c2F)c1
InChIInChI=1S/C14H14ClFN2O/c1-9-6-10(8-17-2)7-13(18-9)19-12-5-3-4-11(15)14(12)16/h3-7,17H,8H2,1-2H3
InChIKeyMWCYUDFCGKLUKV-UHFFFAOYSA-N
XLogP3.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-fluorophenoxy)-4-(chloromethyl)-6-methylpyridine
CID 116689772
2-(3-chloro-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile
CID 114766993
1-[2-(4-fluorophenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine
CID 113379513
1-[5-(3-chloro-2-fluorophenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 116690116
[2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol
CID 116689756
N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 116690064
N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 116689984
[2-(3-chloro-2-fluorophenoxy)-6-propyl-4-pyridinyl]methanol
CID 116689764
1-[2-(3-chloro-2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 116689944
1-[2-(2,3-dichlorophenoxy)-4-pyridinyl]-N-methylmethanamine
CID 62297929
6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 116691215
6-(3-chloro-2-fluorophenoxy)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720106

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-2-fluorophenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-chloro-2-fluorophenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine (CID 116690035) is 1-[2-(3-chloro-2-fluorophenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-chloro-2-fluorophenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-chloro-2-fluorophenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine is CNCc1cc(C)nc(Oc2cccc(Cl)c2F)c1.
What is the InChIKey of 1-[2-(3-chloro-2-fluorophenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine?
The InChIKey is MWCYUDFCGKLUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-9-6-10(8-17-2)7-13(18-9)19-12-5-3-4-11(15)14(12)16/h3-7,17H,8H2,1-2H3.
What are the key properties of 1-[2-(3-chloro-2-fluorophenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine?
1-[2-(3-chloro-2-fluorophenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine has a molecular weight of 280.73 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-2-fluorophenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 116690035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).