1-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine

C14H14ClFN2 — CID 113297209

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

About 1-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine

1-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine (PubChem CID 113297209) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
PubChem CID113297209
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
SMILESCNC(c1cncc(C)c1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H14ClFN2/c1-9-5-11(8-18-7-9)14(17-2)10-3-4-13(16)12(15)6-10/h3-8,14,17H,1-2H3
InChIKeySPSZUBHCYFUWCB-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-(3,4-difluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 115374301
N-[(3-chloro-4-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 115374528
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 82810031
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-(3-chloro-5-methylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105023291
1-(3-chloro-4-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 55182168
1-(3-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine
CID 55181591
N-methyl-1-(5-methyl-3-pyridinyl)-1-phenylmethanamine
CID 115374320
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 103043135
[(3,4-dichlorophenyl)-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 105257086
1-(3-chloro-4-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 63969023

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine (CID 113297209) is 1-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine is CNC(c1cncc(C)c1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine?
The InChIKey is SPSZUBHCYFUWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c1-9-5-11(8-18-7-9)14(17-2)10-3-4-13(16)12(15)6-10/h3-8,14,17H,1-2H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine?
1-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine 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-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 113297209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).