3-chloro-N-[(2,5-dimethoxyphenyl)methyl]-5-fluoroaniline

C15H15ClFNO2 — CID 103818380

IUPAC3-chloro-N-[(2,5-dimethoxyphenyl)methyl]-5-fluoroaniline
SMILESCOc1ccc(OC)c(CNc2cc(F)cc(Cl)c2)c1
InChIInChI=1S/C15H15ClFNO2/c1-19-14-3-4-15(20-2)10(5-14)9-18-13-7-11(16)6-12(17)8-13/h3-8,18H,9H2,1-2H3
InChIKeyDWGUZUOXDWQXNO-UHFFFAOYSA-N
MW295.74 g/mol
LogP4.11
Rot. Bonds5

About 3-chloro-N-[(2,5-dimethoxyphenyl)methyl]-5-fluoroaniline

3-chloro-N-[(2,5-dimethoxyphenyl)methyl]-5-fluoroaniline (PubChem CID 103818380) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is 3-chloro-N-[(2,5-dimethoxyphenyl)methyl]-5-fluoroaniline.

Molecular Properties

Compound Name3-chloro-N-[(2,5-dimethoxyphenyl)methyl]-5-fluoroaniline
PubChem CID103818380
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC Name3-chloro-N-[(2,5-dimethoxyphenyl)methyl]-5-fluoroaniline
SMILESCOc1ccc(OC)c(CNc2cc(F)cc(Cl)c2)c1
InChIInChI=1S/C15H15ClFNO2/c1-19-14-3-4-15(20-2)10(5-14)9-18-13-7-11(16)6-12(17)8-13/h3-8,18H,9H2,1-2H3
InChIKeyDWGUZUOXDWQXNO-UHFFFAOYSA-N
XLogP4.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-fluoroaniline
CID 103818353
N-[(2,5-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 791602
N-[(5-chloro-2-methoxyphenyl)methyl]-3-fluoro-5-nitroaniline
CID 107334439
N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoro-5-methylaniline
CID 79055350
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-difluoroaniline
CID 43410818
N-[(2,5-dimethoxyphenyl)methyl]-4-propan-2-yloxyaniline
CID 39424379
4-fluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]aniline
CID 82131275
N-[(2,5-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine
CID 22664253
N-[(2,5-dimethoxyphenyl)methyl]thiophen-3-amine
CID 66351900
1-N-[(2,5-dimethoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 39387639
N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-3,5-difluoroaniline
CID 46551954
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
CID 43410779

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2,5-dimethoxyphenyl)methyl]-5-fluoroaniline?
The IUPAC name of 3-chloro-N-[(2,5-dimethoxyphenyl)methyl]-5-fluoroaniline (CID 103818380) is 3-chloro-N-[(2,5-dimethoxyphenyl)methyl]-5-fluoroaniline.
What is the SMILES notation for 3-chloro-N-[(2,5-dimethoxyphenyl)methyl]-5-fluoroaniline?
The canonical SMILES for 3-chloro-N-[(2,5-dimethoxyphenyl)methyl]-5-fluoroaniline is COc1ccc(OC)c(CNc2cc(F)cc(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[(2,5-dimethoxyphenyl)methyl]-5-fluoroaniline?
The InChIKey is DWGUZUOXDWQXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2/c1-19-14-3-4-15(20-2)10(5-14)9-18-13-7-11(16)6-12(17)8-13/h3-8,18H,9H2,1-2H3.
What are the key properties of 3-chloro-N-[(2,5-dimethoxyphenyl)methyl]-5-fluoroaniline?
3-chloro-N-[(2,5-dimethoxyphenyl)methyl]-5-fluoroaniline has a molecular weight of 295.74 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2,5-dimethoxyphenyl)methyl]-5-fluoroaniline is sourced from PubChem (CID 103818380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).