5-chloro-3-[ethylamino-(4-fluoro-3-methoxyphenyl)methyl]pyridin-2-amine

C15H17ClFN3O — CID 107922698

IUPAC5-chloro-3-[ethylamino-(4-fluoro-3-methoxyphenyl)methyl]pyridin-2-amine
SMILESCCNC(c1ccc(F)c(OC)c1)c1cc(Cl)cnc1N
InChIInChI=1S/C15H17ClFN3O/c1-3-19-14(11-7-10(16)8-20-15(11)18)9-4-5-12(17)13(6-9)21-2/h4-8,14,19H,3H2,1-2H3,(H2,18,20)
InChIKeyMIRIIHKEFFNRMP-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.16
Rot. Bonds5

About 5-chloro-3-[ethylamino-(4-fluoro-3-methoxyphenyl)methyl]pyridin-2-amine

5-chloro-3-[ethylamino-(4-fluoro-3-methoxyphenyl)methyl]pyridin-2-amine (PubChem CID 107922698) has the molecular formula C15H17ClFN3O and a molecular weight of 309.77 g/mol. Its IUPAC name is 5-chloro-3-[ethylamino-(4-fluoro-3-methoxyphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-[ethylamino-(4-fluoro-3-methoxyphenyl)methyl]pyridin-2-amine
PubChem CID107922698
Molecular FormulaC15H17ClFN3O
Molecular Weight309.77 g/mol
Exact Mass309.10
IUPAC Name5-chloro-3-[ethylamino-(4-fluoro-3-methoxyphenyl)methyl]pyridin-2-amine
SMILESCCNC(c1ccc(F)c(OC)c1)c1cc(Cl)cnc1N
InChIInChI=1S/C15H17ClFN3O/c1-3-19-14(11-7-10(16)8-20-15(11)18)9-4-5-12(17)13(6-9)21-2/h4-8,14,19H,3H2,1-2H3,(H2,18,20)
InChIKeyMIRIIHKEFFNRMP-UHFFFAOYSA-N
XLogP3.16
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chloro-2-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 105022572
N-[(2,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 81288457
N-[(3,5-dichloro-2-pyridinyl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 79783700
5-chloro-3-[hydrazinyl-(4-methoxy-3-methylphenyl)methyl]pyridin-2-amine
CID 105258421
N-[(4-fluoro-3-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81288473
N-[(5-chlorothiophen-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 81283886
N-[(5-chloro-2-methoxyphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854831
5-chloro-3-[(4-methylsulfanylphenyl)-(propylamino)methyl]pyridin-2-amine
CID 106848461
N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 115790055
N-[(4-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493615
N-[(4-bromo-5-chlorothiophen-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 102828442
N-[(3-chloro-4-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 82872461

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[ethylamino-(4-fluoro-3-methoxyphenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-[ethylamino-(4-fluoro-3-methoxyphenyl)methyl]pyridin-2-amine (CID 107922698) is 5-chloro-3-[ethylamino-(4-fluoro-3-methoxyphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-[ethylamino-(4-fluoro-3-methoxyphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-[ethylamino-(4-fluoro-3-methoxyphenyl)methyl]pyridin-2-amine is CCNC(c1ccc(F)c(OC)c1)c1cc(Cl)cnc1N.
What is the InChIKey of 5-chloro-3-[ethylamino-(4-fluoro-3-methoxyphenyl)methyl]pyridin-2-amine?
The InChIKey is MIRIIHKEFFNRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O/c1-3-19-14(11-7-10(16)8-20-15(11)18)9-4-5-12(17)13(6-9)21-2/h4-8,14,19H,3H2,1-2H3,(H2,18,20).
What are the key properties of 5-chloro-3-[ethylamino-(4-fluoro-3-methoxyphenyl)methyl]pyridin-2-amine?
5-chloro-3-[ethylamino-(4-fluoro-3-methoxyphenyl)methyl]pyridin-2-amine has a molecular weight of 309.77 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[ethylamino-(4-fluoro-3-methoxyphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 107922698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).