1-(2-chloro-4-methylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine

C14H14ClFN2 — CID 106857038

IUPAC1-(2-chloro-4-methylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
SMILESCNC(c1cncc(F)c1)c1ccc(C)cc1Cl
InChIInChI=1S/C14H14ClFN2/c1-9-3-4-12(13(15)5-9)14(17-2)10-6-11(16)8-18-7-10/h3-8,14,17H,1-2H3
InChIKeyJTQWXWIASAVXKH-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.49
Rot. Bonds3

About 1-(2-chloro-4-methylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine

1-(2-chloro-4-methylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine (PubChem CID 106857038) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
PubChem CID106857038
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC Name1-(2-chloro-4-methylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
SMILESCNC(c1cncc(F)c1)c1ccc(C)cc1Cl
InChIInChI=1S/C14H14ClFN2/c1-9-3-4-12(13(15)5-9)14(17-2)10-6-11(16)8-18-7-10/h3-8,14,17H,1-2H3
InChIKeyJTQWXWIASAVXKH-UHFFFAOYSA-N
XLogP3.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 106857167
1-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 54967967
1-(3,4-dichlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 81492170
1-(2-chloro-4-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 106857539
1-(4-fluorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 54967877
1-(2-chloro-4-methylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 106857516
[(2,4-dichlorophenyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105288029
1-(5-fluoro-3-pyridinyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 103435215
1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 62688972
1-(4-tert-butylphenyl)-1-(2-chloro-4-methylphenyl)-N-methylmethanamine
CID 106857422
[(2-bromo-4-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105288068
1-(2-chloro-4-methylphenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 106857074

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine (CID 106857038) is 1-(2-chloro-4-methylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine is CNC(c1cncc(F)c1)c1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine?
The InChIKey is JTQWXWIASAVXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c1-9-3-4-12(13(15)5-9)14(17-2)10-6-11(16)8-18-7-10/h3-8,14,17H,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine?
1-(2-chloro-4-methylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine has a molecular weight of 264.73 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 106857038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).