1-(2-chloro-5-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine

C13H11ClF2N2 — CID 105395258

IUPAC1-(2-chloro-5-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cn1)c1cc(F)ccc1Cl
InChIInChI=1S/C13H11ClF2N2/c1-17-13(12-5-3-9(16)7-18-12)10-6-8(15)2-4-11(10)14/h2-7,13,17H,1H3
InChIKeySTGUPIYPJMNAOH-UHFFFAOYSA-N
MW268.69 g/mol
LogP3.32
Rot. Bonds3

About 1-(2-chloro-5-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine

1-(2-chloro-5-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine (PubChem CID 105395258) has the molecular formula C13H11ClF2N2 and a molecular weight of 268.69 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
PubChem CID105395258
Molecular FormulaC13H11ClF2N2
Molecular Weight268.69 g/mol
Exact Mass268.06
IUPAC Name1-(2-chloro-5-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cn1)c1cc(F)ccc1Cl
InChIInChI=1S/C13H11ClF2N2/c1-17-13(12-5-3-9(16)7-18-12)10-6-8(15)2-4-11(10)14/h2-7,13,17H,1H3
InChIKeySTGUPIYPJMNAOH-UHFFFAOYSA-N
XLogP3.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.69
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 79712635
1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 79712823
1-(5-fluoro-2-pyridinyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 79712824
1-(3-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 107359992
1-(2-chloro-5-fluorophenyl)-N-methyl-1-(1-methyltriazol-4-yl)methanamine
CID 112735908
1-(2-chloro-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 105394908
1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 79713415
1-(2-chloro-5-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylmethanamine
CID 105395458
1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102754677
1-(2-chloro-5-fluorophenyl)-1-(2,6-dichlorophenyl)-N-methylmethanamine
CID 105397291
1-(5-fluoro-2-pyridinyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 79712254
1-(2-chloro-5-fluorophenyl)-1-(2-chlorofuran-3-yl)-N-methylmethanamine
CID 106693400

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine (CID 105395258) is 1-(2-chloro-5-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine is CNC(c1ccc(F)cn1)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine?
The InChIKey is STGUPIYPJMNAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2/c1-17-13(12-5-3-9(16)7-18-12)10-6-8(15)2-4-11(10)14/h2-7,13,17H,1H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine?
1-(2-chloro-5-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine has a molecular weight of 268.69 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 105395258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).