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

C14H14ClFN2O — CID 103444034

IUPAC1-(3-chloro-2-pyridinyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)cc1F)c1ncccc1Cl
InChIInChI=1S/C14H14ClFN2O/c1-17-13(14-11(15)4-3-7-18-14)10-6-5-9(19-2)8-12(10)16/h3-8,13,17H,1-2H3
InChIKeyNUSHCTZLHUKCAU-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.19
Rot. Bonds4

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

1-(3-chloro-2-pyridinyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine (PubChem CID 103444034) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
PubChem CID103444034
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name1-(3-chloro-2-pyridinyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)cc1F)c1ncccc1Cl
InChIInChI=1S/C14H14ClFN2O/c1-17-13(14-11(15)4-3-7-18-14)10-6-5-9(19-2)8-12(10)16/h3-8,13,17H,1-2H3
InChIKeyNUSHCTZLHUKCAU-UHFFFAOYSA-N
XLogP3.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-2-pyridinyl)-1-(2-fluoro-4-methoxyphenyl)-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-(3-chloro-2-pyridinyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 103444068
3-[(2-fluoro-4-methoxyphenyl)-(methylamino)methyl]pyridin-2-amine
CID 81304169
N-[(3-chloro-2-pyridinyl)-(2,4-dimethoxyphenyl)methyl]ethanamine
CID 103444648
1-(2-chloro-6-fluorophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43561896
N-[(3-bromo-2-pyridinyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 103395826
1-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43561335
1-(2-fluoro-4-methoxyphenyl)-1-(4-iodophenyl)-N-methylmethanamine
CID 43561417
N-[(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 103395517
1-(3-chloro-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 103444187
(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanamine
CID 103395513
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 114659101
1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43561402

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine (CID 103444034) is 1-(3-chloro-2-pyridinyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine is CNC(c1ccc(OC)cc1F)c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is NUSHCTZLHUKCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-17-13(14-11(15)4-3-7-18-14)10-6-5-9(19-2)8-12(10)16/h3-8,13,17H,1-2H3.
What are the key properties of 1-(3-chloro-2-pyridinyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine?
1-(3-chloro-2-pyridinyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 280.73 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 103444034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).