4-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline

C14H13ClFN — CID 114053753

IUPAC4-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline
SMILESCc1ccc(F)c(CNc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H13ClFN/c1-10-2-7-14(16)11(8-10)9-17-13-5-3-12(15)4-6-13/h2-8,17H,9H2,1H3
InChIKeyAIUMZPYDZUETFH-UHFFFAOYSA-N
MW249.72 g/mol
LogP4.40
Rot. Bonds3

About 4-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline

4-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline (PubChem CID 114053753) has the molecular formula C14H13ClFN and a molecular weight of 249.72 g/mol. Its IUPAC name is 4-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline
PubChem CID114053753
Molecular FormulaC14H13ClFN
Molecular Weight249.72 g/mol
Exact Mass249.07
IUPAC Name4-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline
SMILESCc1ccc(F)c(CNc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H13ClFN/c1-10-2-7-14(16)11(8-10)9-17-13-5-3-12(15)4-6-13/h2-8,17H,9H2,1H3
InChIKeyAIUMZPYDZUETFH-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-4-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline
CID 114053891
3-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053885
4-[(2-fluoro-5-methylphenyl)methylamino]benzamide
CID 103830288
2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053971
2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053781
N-[(2-fluoro-5-methylphenyl)methyl]-5-methylpyridin-3-amine
CID 103824043
2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline
CID 114053756
2-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylaniline
CID 114841500
N-[(2-fluoro-5-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 103818702
N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline
CID 66160642
2-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylbenzene-1,2-diamine
CID 115126354
N-[(5-chloro-2-fluorophenyl)methyl]-4-ethoxyaniline
CID 114841290

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline?
The IUPAC name of 4-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline (CID 114053753) is 4-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline.
What is the SMILES notation for 4-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline?
The canonical SMILES for 4-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline is Cc1ccc(F)c(CNc2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline?
The InChIKey is AIUMZPYDZUETFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN/c1-10-2-7-14(16)11(8-10)9-17-13-5-3-12(15)4-6-13/h2-8,17H,9H2,1H3.
What are the key properties of 4-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline?
4-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline has a molecular weight of 249.72 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline is sourced from PubChem (CID 114053753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).