N-[(4-chlorophenyl)methyl]-2-fluoro-4-methylaniline

C14H13ClFN — CID 28879315

IUPACN-[(4-chlorophenyl)methyl]-2-fluoro-4-methylaniline
SMILESCc1ccc(NCc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C14H13ClFN/c1-10-2-7-14(13(16)8-10)17-9-11-3-5-12(15)6-4-11/h2-8,17H,9H2,1H3
InChIKeyWSZHWEZKWBZJMA-UHFFFAOYSA-N
MW249.72 g/mol
LogP4.40
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-2-fluoro-4-methylaniline

N-[(4-chlorophenyl)methyl]-2-fluoro-4-methylaniline (PubChem CID 28879315) has the molecular formula C14H13ClFN and a molecular weight of 249.72 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-fluoro-4-methylaniline.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-fluoro-4-methylaniline
PubChem CID28879315
Molecular FormulaC14H13ClFN
Molecular Weight249.72 g/mol
Exact Mass249.07
IUPAC NameN-[(4-chlorophenyl)methyl]-2-fluoro-4-methylaniline
SMILESCc1ccc(NCc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C14H13ClFN/c1-10-2-7-14(13(16)8-10)17-9-11-3-5-12(15)6-4-11/h2-8,17H,9H2,1H3
InChIKeyWSZHWEZKWBZJMA-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

4-chloro-2-fluoro-N-[(4-methylphenyl)methyl]aniline
CID 43229744
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methylaniline
CID 28879321
N-[(3-bromo-4-chlorophenyl)methyl]-2-fluoro-4-methylaniline
CID 83235178
4-chloro-N-[(3,5-dimethylphenyl)methyl]-2-fluoroaniline
CID 55026237
4-chloro-2-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62120578
methyl 4-[(2-fluoro-4-methylanilino)methyl]benzoate
CID 28879318
4-chloro-2-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645041
N-[(2-chlorophenyl)methyl]-2-fluoro-4-methylaniline
CID 28879324
N-[(4-chlorophenyl)methyl]-4-methyl-2-nitroaniline
CID 43349332
2-fluoro-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]aniline
CID 113221978
2-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-4-methylaniline
CID 104953898
2-fluoro-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 43230038

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-fluoro-4-methylaniline?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-fluoro-4-methylaniline (CID 28879315) is N-[(4-chlorophenyl)methyl]-2-fluoro-4-methylaniline.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-fluoro-4-methylaniline?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-fluoro-4-methylaniline is Cc1ccc(NCc2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-fluoro-4-methylaniline?
The InChIKey is WSZHWEZKWBZJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN/c1-10-2-7-14(13(16)8-10)17-9-11-3-5-12(15)6-4-11/h2-8,17H,9H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-fluoro-4-methylaniline?
N-[(4-chlorophenyl)methyl]-2-fluoro-4-methylaniline 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 N-[(4-chlorophenyl)methyl]-2-fluoro-4-methylaniline is sourced from PubChem (CID 28879315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).