1-(3,4-dichlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine

C13H11Cl2FN2 — CID 81492170

IUPAC1-(3,4-dichlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
SMILESCNC(c1cncc(F)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2FN2/c1-17-13(9-4-10(16)7-18-6-9)8-2-3-11(14)12(15)5-8/h2-7,13,17H,1H3
InChIKeyLAEGUGWZENHKLP-UHFFFAOYSA-N
MW285.15 g/mol
LogP3.84
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine

1-(3,4-dichlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine (PubChem CID 81492170) has the molecular formula C13H11Cl2FN2 and a molecular weight of 285.15 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
PubChem CID81492170
Molecular FormulaC13H11Cl2FN2
Molecular Weight285.15 g/mol
Exact Mass284.03
IUPAC Name1-(3,4-dichlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
SMILESCNC(c1cncc(F)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2FN2/c1-17-13(9-4-10(16)7-18-6-9)8-2-3-11(14)12(15)5-8/h2-7,13,17H,1H3
InChIKeyLAEGUGWZENHKLP-UHFFFAOYSA-N
XLogP3.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.15
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dichlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 54967967
1-(4-fluorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 54967877
1-(4-tert-butylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 115805098
1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 107991696
1-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 113297209
1-(2-chloro-4-methylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 106857038
1-(5-fluoro-3-pyridinyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 115804713
1-(3-bromo-5-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 107945193
1-(5-fluoro-3-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105175369
1-(5-fluoro-3-pyridinyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 54967829
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 105143391
1-(5-fluoro-2-pyridinyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 79712254

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine (CID 81492170) is 1-(3,4-dichlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine is CNC(c1cncc(F)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine?
The InChIKey is LAEGUGWZENHKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2/c1-17-13(9-4-10(16)7-18-6-9)8-2-3-11(14)12(15)5-8/h2-7,13,17H,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine?
1-(3,4-dichlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine has a molecular weight of 285.15 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 81492170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).