3-bromo-5-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methoxyaniline

C14H13BrClFN2O — CID 83117200

IUPAC3-bromo-5-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methoxyaniline
SMILESCOc1c(Br)cc(Cl)cc1NC(C)c1ccc(F)cn1
InChIInChI=1S/C14H13BrClFN2O/c1-8(12-4-3-10(17)7-18-12)19-13-6-9(16)5-11(15)14(13)20-2/h3-8,19H,1-2H3
InChIKeyARAQIRAQRGCSMX-UHFFFAOYSA-N
MW359.63 g/mol
LogP4.82
Rot. Bonds4

About 3-bromo-5-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methoxyaniline

3-bromo-5-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methoxyaniline (PubChem CID 83117200) has the molecular formula C14H13BrClFN2O and a molecular weight of 359.63 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methoxyaniline.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methoxyaniline
PubChem CID83117200
Molecular FormulaC14H13BrClFN2O
Molecular Weight359.63 g/mol
Exact Mass357.99
IUPAC Name3-bromo-5-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methoxyaniline
SMILESCOc1c(Br)cc(Cl)cc1NC(C)c1ccc(F)cn1
InChIInChI=1S/C14H13BrClFN2O/c1-8(12-4-3-10(17)7-18-12)19-13-6-9(16)5-11(15)14(13)20-2/h3-8,19H,1-2H3
InChIKeyARAQIRAQRGCSMX-UHFFFAOYSA-N
XLogP4.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.63
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-5-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methoxyaniline 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

2,5-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117985
3-bromo-5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxyaniline
CID 43689304
4-bromo-2,3-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 107787554
2,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83118233
3-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 113354863
3-bromo-5-chloro-2-methoxy-N-[1-(4-methylsulfanylphenyl)ethyl]aniline
CID 43689308
3-bromo-5-chloro-2-methoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
CID 102613331
4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117908
4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-(trifluoromethyl)aniline
CID 83118812
4-bromo-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylaniline
CID 83118311
3-bromo-5-chloro-N-[1-(4-ethylphenyl)ethyl]-2-methoxyaniline
CID 43689329
2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-iodoaniline
CID 83118093

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methoxyaniline?
The IUPAC name of 3-bromo-5-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methoxyaniline (CID 83117200) is 3-bromo-5-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methoxyaniline.
What is the SMILES notation for 3-bromo-5-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methoxyaniline?
The canonical SMILES for 3-bromo-5-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methoxyaniline is COc1c(Br)cc(Cl)cc1NC(C)c1ccc(F)cn1.
What is the InChIKey of 3-bromo-5-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methoxyaniline?
The InChIKey is ARAQIRAQRGCSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClFN2O/c1-8(12-4-3-10(17)7-18-12)19-13-6-9(16)5-11(15)14(13)20-2/h3-8,19H,1-2H3.
What are the key properties of 3-bromo-5-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methoxyaniline?
3-bromo-5-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methoxyaniline has a molecular weight of 359.63 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methoxyaniline is sourced from PubChem (CID 83117200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).