3-(3-chloro-4-fluorophenyl)-5-(2-methoxy-5-propan-2-ylphenyl)pyridin-2-amine

C21H20ClFN2O — CID 155552361

IUPAC3-(3-chloro-4-fluorophenyl)-5-(2-methoxy-5-propan-2-ylphenyl)pyridin-2-amine
SMILESCOc1ccc(C(C)C)cc1-c1cnc(N)c(-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C21H20ClFN2O/c1-12(2)13-5-7-20(26-3)16(8-13)15-9-17(21(24)25-11-15)14-4-6-19(23)18(22)10-14/h4-12H,1-3H3,(H2,24,25)
InChIKeyFMRIZLJMUKTNPR-UHFFFAOYSA-N
MW370.86 g/mol
LogP5.92
Rot. Bonds4

About 3-(3-chloro-4-fluorophenyl)-5-(2-methoxy-5-propan-2-ylphenyl)pyridin-2-amine

3-(3-chloro-4-fluorophenyl)-5-(2-methoxy-5-propan-2-ylphenyl)pyridin-2-amine (PubChem CID 155552361) has the molecular formula C21H20ClFN2O and a molecular weight of 370.86 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-5-(2-methoxy-5-propan-2-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-5-(2-methoxy-5-propan-2-ylphenyl)pyridin-2-amine
PubChem CID155552361
Molecular FormulaC21H20ClFN2O
Molecular Weight370.86 g/mol
Exact Mass370.12
IUPAC Name3-(3-chloro-4-fluorophenyl)-5-(2-methoxy-5-propan-2-ylphenyl)pyridin-2-amine
SMILESCOc1ccc(C(C)C)cc1-c1cnc(N)c(-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C21H20ClFN2O/c1-12(2)13-5-7-20(26-3)16(8-13)15-9-17(21(24)25-11-15)14-4-6-19(23)18(22)10-14/h4-12H,1-3H3,(H2,24,25)
InChIKeyFMRIZLJMUKTNPR-UHFFFAOYSA-N
XLogP5.92
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.86
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-chloro-4-fluorophenyl)-5-(2-methoxy-5-propan-2-ylphenyl)pyridin-2-amine 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

4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine;hydrochloride
CID 139864479
2-amino-5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
CID 53223935
3-(4-chloro-3-methoxyphenyl)-5-methylpyridin-2-amine
CID 79700423
3-(5-amino-3-fluoro-2-pyridinyl)-5-(3,4-dimethoxyphenyl)pyridin-2-amine
CID 129110698
1-(3-chloro-4-fluorophenyl)-3,4-dimethoxy-2-methylbenzene
CID 174501482
4-(2-methoxy-5-propan-2-ylphenyl)thiophen-2-amine
CID 82130986
6-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1,2,4-triazin-5-amine
CID 116823436
5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 126673167
5-(2-methoxy-5-propan-2-ylphenyl)-2,6-dimethylpyrimidin-4-amine
CID 95474423
2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]acetic acid
CID 176513648
2-chloro-5-(5-fluoro-2-methoxyphenyl)pyridine
CID 154604158
1,4-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
CID 119008746

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-5-(2-methoxy-5-propan-2-ylphenyl)pyridin-2-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-5-(2-methoxy-5-propan-2-ylphenyl)pyridin-2-amine (CID 155552361) is 3-(3-chloro-4-fluorophenyl)-5-(2-methoxy-5-propan-2-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-5-(2-methoxy-5-propan-2-ylphenyl)pyridin-2-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-5-(2-methoxy-5-propan-2-ylphenyl)pyridin-2-amine is COc1ccc(C(C)C)cc1-c1cnc(N)c(-c2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-5-(2-methoxy-5-propan-2-ylphenyl)pyridin-2-amine?
The InChIKey is FMRIZLJMUKTNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN2O/c1-12(2)13-5-7-20(26-3)16(8-13)15-9-17(21(24)25-11-15)14-4-6-19(23)18(22)10-14/h4-12H,1-3H3,(H2,24,25).
What are the key properties of 3-(3-chloro-4-fluorophenyl)-5-(2-methoxy-5-propan-2-ylphenyl)pyridin-2-amine?
3-(3-chloro-4-fluorophenyl)-5-(2-methoxy-5-propan-2-ylphenyl)pyridin-2-amine has a molecular weight of 370.86 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-5-(2-methoxy-5-propan-2-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 155552361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).