N-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine

C14H13ClF2N2 — CID 105038137

IUPACN-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccncc1F)c1c(F)cccc1Cl
InChIInChI=1S/C14H13ClF2N2/c1-2-19-14(9-6-7-18-8-12(9)17)13-10(15)4-3-5-11(13)16/h3-8,14,19H,2H2,1H3
InChIKeyRGONSTKMFDGZDM-UHFFFAOYSA-N
MW282.72 g/mol
LogP3.71
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine

N-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine (PubChem CID 105038137) has the molecular formula C14H13ClF2N2 and a molecular weight of 282.72 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
PubChem CID105038137
Molecular FormulaC14H13ClF2N2
Molecular Weight282.72 g/mol
Exact Mass282.07
IUPAC NameN-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccncc1F)c1c(F)cccc1Cl
InChIInChI=1S/C14H13ClF2N2/c1-2-19-14(9-6-7-18-8-12(9)17)13-10(15)4-3-5-11(13)16/h3-8,14,19H,2H2,1H3
InChIKeyRGONSTKMFDGZDM-UHFFFAOYSA-N
XLogP3.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.72
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
CID 105038416
N-[(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 82822811
N-[(2-chloro-6-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 63501905
N-[(4-chloro-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 107995206
N-[(3-chloro-4-pyridinyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 105149426
N-[(4-bromo-2,6-difluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 105038311
N-[(3-chloro-2-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 64714724
N-[(4-bromo-2-chlorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 105038084
N-[(2-chloro-6-fluorophenyl)-(4-methylphenyl)methyl]ethanamine
CID 43489376
N-[(3-bromo-2,6-difluorophenyl)-(3-chloro-4-pyridinyl)methyl]ethanamine
CID 106944470
N-[(3-fluoro-4-pyridinyl)-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 104738170
N-[(3-fluoro-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine
CID 116544959

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine (CID 105038137) is N-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine is CCNC(c1ccncc1F)c1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine?
The InChIKey is RGONSTKMFDGZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N2/c1-2-19-14(9-6-7-18-8-12(9)17)13-10(15)4-3-5-11(13)16/h3-8,14,19H,2H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine?
N-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine has a molecular weight of 282.72 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 105038137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).