3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylaniline

C15H15ClFN — CID 63419437

IUPAC3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylaniline
SMILESCc1cc(CNc2cccc(Cl)c2C)ccc1F
InChIInChI=1S/C15H15ClFN/c1-10-8-12(6-7-14(10)17)9-18-15-5-3-4-13(16)11(15)2/h3-8,18H,9H2,1-2H3
InChIKeyFLSPPZIYPIMUNR-UHFFFAOYSA-N
MW263.74 g/mol
LogP4.71
Rot. Bonds3

About 3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylaniline

3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylaniline (PubChem CID 63419437) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is 3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylaniline.

Molecular Properties

Compound Name3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylaniline
PubChem CID63419437
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC Name3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylaniline
SMILESCc1cc(CNc2cccc(Cl)c2C)ccc1F
InChIInChI=1S/C15H15ClFN/c1-10-8-12(6-7-14(10)17)9-18-15-5-3-4-13(16)11(15)2/h3-8,18H,9H2,1-2H3
InChIKeyFLSPPZIYPIMUNR-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.74
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-2-methylanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 29451919
2-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-3-methylaniline
CID 114251741
N-[(4-bromo-3-fluorophenyl)methyl]-3-chloro-2-methylaniline
CID 81432615
4-chloro-2-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62120578
N-[(4-bromo-3-methylphenyl)methyl]-3-chloro-2-fluoroaniline
CID 66474796
3-chloro-N-[(2,6-difluorophenyl)methyl]-2-methylaniline
CID 29039317
2,5-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylaniline
CID 103585043
2,6-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62121783
2-[(4-fluoro-3-methylphenyl)methylamino]-6-methylbenzonitrile
CID 107803347
N-[(3-bromo-4-chlorophenyl)methyl]-3-fluoro-2-methylaniline
CID 83229913
N-[(3,5-dichlorophenyl)methyl]-3-fluoro-2-methylaniline
CID 63454346
4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 63419097

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylaniline?
The IUPAC name of 3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylaniline (CID 63419437) is 3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylaniline.
What is the SMILES notation for 3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylaniline?
The canonical SMILES for 3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylaniline is Cc1cc(CNc2cccc(Cl)c2C)ccc1F.
What is the InChIKey of 3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylaniline?
The InChIKey is FLSPPZIYPIMUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c1-10-8-12(6-7-14(10)17)9-18-15-5-3-4-13(16)11(15)2/h3-8,18H,9H2,1-2H3.
What are the key properties of 3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylaniline?
3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylaniline has a molecular weight of 263.74 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylaniline is sourced from PubChem (CID 63419437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).