1-(3-chloro-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine

C16H18ClFN2O — CID 64713618

IUPAC1-(3-chloro-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
SMILESCOc1c(C)cnc(CC(N)c2cccc(Cl)c2F)c1C
InChIInChI=1S/C16H18ClFN2O/c1-9-8-20-14(10(2)16(9)21-3)7-13(19)11-5-4-6-12(17)15(11)18/h4-6,8,13H,7,19H2,1-3H3
InChIKeyXCPMZCRWCQOBFO-UHFFFAOYSA-N
MW308.78 g/mol
LogP3.74
Rot. Bonds4

About 1-(3-chloro-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine

1-(3-chloro-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine (PubChem CID 64713618) has the molecular formula C16H18ClFN2O and a molecular weight of 308.78 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
PubChem CID64713618
Molecular FormulaC16H18ClFN2O
Molecular Weight308.78 g/mol
Exact Mass308.11
IUPAC Name1-(3-chloro-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
SMILESCOc1c(C)cnc(CC(N)c2cccc(Cl)c2F)c1C
InChIInChI=1S/C16H18ClFN2O/c1-9-8-20-14(10(2)16(9)21-3)7-13(19)11-5-4-6-12(17)15(11)18/h4-6,8,13H,7,19H2,1-3H3
InChIKeyXCPMZCRWCQOBFO-UHFFFAOYSA-N
XLogP3.74
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine 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-(2-chloro-4-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 62945698
1-(5-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 114894511
1-(5-chlorofuran-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 106691804
1-(5-chlorothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 115843956
1-(4-bromo-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 115844012
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methyl-2-pyridinyl)ethanamine
CID 62603573
1-(2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
CID 63085403
2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanamine
CID 102867085
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrimidin-5-ylethanamine
CID 102923368
1-(3-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 64713656
2-(2-chlorophenyl)-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine
CID 62620700
1-(3-chloro-2-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 107101566

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine (CID 64713618) is 1-(3-chloro-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine is COc1c(C)cnc(CC(N)c2cccc(Cl)c2F)c1C.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine?
The InChIKey is XCPMZCRWCQOBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O/c1-9-8-20-14(10(2)16(9)21-3)7-13(19)11-5-4-6-12(17)15(11)18/h4-6,8,13H,7,19H2,1-3H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine?
1-(3-chloro-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine has a molecular weight of 308.78 g/mol, XLogP of 3.74, 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-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 64713618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).