N-[(2-chloro-4-methylphenyl)methyl]-2-fluoroaniline

C14H13ClFN — CID 106862168

IUPACN-[(2-chloro-4-methylphenyl)methyl]-2-fluoroaniline
SMILESCc1ccc(CNc2ccccc2F)c(Cl)c1
InChIInChI=1S/C14H13ClFN/c1-10-6-7-11(12(15)8-10)9-17-14-5-3-2-4-13(14)16/h2-8,17H,9H2,1H3
InChIKeyMUOHOQAPXUOQTE-UHFFFAOYSA-N
MW249.72 g/mol
LogP4.40
Rot. Bonds3

About N-[(2-chloro-4-methylphenyl)methyl]-2-fluoroaniline

N-[(2-chloro-4-methylphenyl)methyl]-2-fluoroaniline (PubChem CID 106862168) has the molecular formula C14H13ClFN and a molecular weight of 249.72 g/mol. Its IUPAC name is N-[(2-chloro-4-methylphenyl)methyl]-2-fluoroaniline.

Molecular Properties

Compound NameN-[(2-chloro-4-methylphenyl)methyl]-2-fluoroaniline
PubChem CID106862168
Molecular FormulaC14H13ClFN
Molecular Weight249.72 g/mol
Exact Mass249.07
IUPAC NameN-[(2-chloro-4-methylphenyl)methyl]-2-fluoroaniline
SMILESCc1ccc(CNc2ccccc2F)c(Cl)c1
InChIInChI=1S/C14H13ClFN/c1-10-6-7-11(12(15)8-10)9-17-14-5-3-2-4-13(14)16/h2-8,17H,9H2,1H3
InChIKeyMUOHOQAPXUOQTE-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

N-[(2-chloro-4-methylphenyl)methyl]-2-iodoaniline
CID 106862253
N-[(2-chlorophenyl)methyl]-2-fluoro-4-methylaniline
CID 28879324
2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline
CID 114053756
3-chloro-4-[(2-fluoroanilino)methyl]benzonitrile
CID 102663908
N-[(2-chloro-4-methylphenyl)methyl]-2,4,6-trifluoroaniline
CID 106862809
3-chloro-4-[(2-fluoro-5-methylanilino)methyl]benzonitrile
CID 102663988
3,5-dichloro-N-[(2-chloro-4-methylphenyl)methyl]-4-fluoroaniline
CID 107573899
N-[(2,4-dichlorophenyl)methyl]-2-methylaniline
CID 28557135
N-[(4-bromo-2-chlorophenyl)methyl]-2,3-difluoroaniline
CID 113470955
2-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylaniline
CID 114841500
N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylaniline
CID 13339997
2-chloro-N-[(2,6-difluorophenyl)methyl]-4-methylaniline
CID 28967830

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]-2-fluoroaniline?
The IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]-2-fluoroaniline (CID 106862168) is N-[(2-chloro-4-methylphenyl)methyl]-2-fluoroaniline.
What is the SMILES notation for N-[(2-chloro-4-methylphenyl)methyl]-2-fluoroaniline?
The canonical SMILES for N-[(2-chloro-4-methylphenyl)methyl]-2-fluoroaniline is Cc1ccc(CNc2ccccc2F)c(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-methylphenyl)methyl]-2-fluoroaniline?
The InChIKey is MUOHOQAPXUOQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN/c1-10-6-7-11(12(15)8-10)9-17-14-5-3-2-4-13(14)16/h2-8,17H,9H2,1H3.
What are the key properties of N-[(2-chloro-4-methylphenyl)methyl]-2-fluoroaniline?
N-[(2-chloro-4-methylphenyl)methyl]-2-fluoroaniline 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-[(2-chloro-4-methylphenyl)methyl]-2-fluoroaniline is sourced from PubChem (CID 106862168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).