1-(4-chloro-3-fluorophenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine

C13H11ClF2N2 — CID 114025401

IUPAC1-(4-chloro-3-fluorophenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(F)c1)c1ccncc1F
InChIInChI=1S/C13H11ClF2N2/c1-17-13(9-4-5-18-7-12(9)16)8-2-3-10(14)11(15)6-8/h2-7,13,17H,1H3
InChIKeyJMPIFOLFRPZWQX-UHFFFAOYSA-N
MW268.69 g/mol
LogP3.32
Rot. Bonds3

About 1-(4-chloro-3-fluorophenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine

1-(4-chloro-3-fluorophenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine (PubChem CID 114025401) has the molecular formula C13H11ClF2N2 and a molecular weight of 268.69 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
PubChem CID114025401
Molecular FormulaC13H11ClF2N2
Molecular Weight268.69 g/mol
Exact Mass268.06
IUPAC Name1-(4-chloro-3-fluorophenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(F)c1)c1ccncc1F
InChIInChI=1S/C13H11ClF2N2/c1-17-13(9-4-5-18-7-12(9)16)8-2-3-10(14)11(15)6-8/h2-7,13,17H,1H3
InChIKeyJMPIFOLFRPZWQX-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

N-[(4-chloro-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 107995206
1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 107991696
1-[4-bromo-3-(trifluoromethyl)phenyl]-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
CID 105038403
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 107993161
1-(4-chloro-3-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 107998804
1-(4-chloro-3-fluorophenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 107993091
[(2-chloro-5-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105397937
1-(3-fluoro-4-methylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 107130336
1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 107992985
1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
CID 114522070
1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 107998783
N-[(3-fluoro-4-pyridinyl)-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 104738170

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine (CID 114025401) is 1-(4-chloro-3-fluorophenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine is CNC(c1ccc(Cl)c(F)c1)c1ccncc1F.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine?
The InChIKey is JMPIFOLFRPZWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2/c1-17-13(9-4-5-18-7-12(9)16)8-2-3-10(14)11(15)6-8/h2-7,13,17H,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine?
1-(4-chloro-3-fluorophenyl)-1-(3-fluoro-4-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-(4-chloro-3-fluorophenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 114025401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).