N-[(3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine

C15H15Cl2FN2O — CID 82793264

IUPACN-[(3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC)c1F)c1ncc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2FN2O/c1-3-19-14(15-11(17)7-9(16)8-20-15)10-5-4-6-12(21-2)13(10)18/h4-8,14,19H,3H2,1-2H3
InChIKeyMSGFEOKILFCNLU-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.24
Rot. Bonds5

About N-[(3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine

N-[(3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine (PubChem CID 82793264) has the molecular formula C15H15Cl2FN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
PubChem CID82793264
Molecular FormulaC15H15Cl2FN2O
Molecular Weight329.20 g/mol
Exact Mass328.05
IUPAC NameN-[(3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC)c1F)c1ncc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2FN2O/c1-3-19-14(15-11(17)7-9(16)8-20-15)10-5-4-6-12(21-2)13(10)18/h4-8,14,19H,3H2,1-2H3
InChIKeyMSGFEOKILFCNLU-UHFFFAOYSA-N
XLogP4.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dichloro-2-pyridinyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine
CID 107513634
N-[(4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82807477
N-[(3,5-dichloro-2-pyridinyl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 79783700
N-[(3-chloro-4-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82791876
N-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 82793003
N-[(2-fluoro-3-methoxyphenyl)-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 82808223
N-[(3-chloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 103444855
N-[(3,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82791869
N-[(3-chloro-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 81267028
N-[(2-fluoro-3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951729
N-[(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 82808349
N-[(2-fluoro-3-methoxyphenyl)-pyridazin-4-ylmethyl]ethanamine
CID 105174724

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine (CID 82793264) is N-[(3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine is CCNC(c1cccc(OC)c1F)c1ncc(Cl)cc1Cl.
What is the InChIKey of N-[(3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine?
The InChIKey is MSGFEOKILFCNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2FN2O/c1-3-19-14(15-11(17)7-9(16)8-20-15)10-5-4-6-12(21-2)13(10)18/h4-8,14,19H,3H2,1-2H3.
What are the key properties of N-[(3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine?
N-[(3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine has a molecular weight of 329.20 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 82793264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).