N-[(2,6-difluorophenyl)methyl]-4-fluoro-3-methylaniline

C14H12F3N — CID 55118977

IUPACN-[(2,6-difluorophenyl)methyl]-4-fluoro-3-methylaniline
SMILESCc1cc(NCc2c(F)cccc2F)ccc1F
InChIInChI=1S/C14H12F3N/c1-9-7-10(5-6-12(9)15)18-8-11-13(16)3-2-4-14(11)17/h2-7,18H,8H2,1H3
InChIKeyXMNLSZCHLFEEPD-UHFFFAOYSA-N
MW251.25 g/mol
LogP4.02
Rot. Bonds3

About N-[(2,6-difluorophenyl)methyl]-4-fluoro-3-methylaniline

N-[(2,6-difluorophenyl)methyl]-4-fluoro-3-methylaniline (PubChem CID 55118977) has the molecular formula C14H12F3N and a molecular weight of 251.25 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-4-fluoro-3-methylaniline.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-4-fluoro-3-methylaniline
PubChem CID55118977
Molecular FormulaC14H12F3N
Molecular Weight251.25 g/mol
Exact Mass251.09
IUPAC NameN-[(2,6-difluorophenyl)methyl]-4-fluoro-3-methylaniline
SMILESCc1cc(NCc2c(F)cccc2F)ccc1F
InChIInChI=1S/C14H12F3N/c1-9-7-10(5-6-12(9)15)18-8-11-13(16)3-2-4-14(11)17/h2-7,18H,8H2,1H3
InChIKeyXMNLSZCHLFEEPD-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,6-dimethylphenyl)methyl]-3-fluoro-4-methylaniline
CID 78997610
4-fluoro-3-methyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 63050571
4-fluoro-N-[(4-iodophenyl)methyl]-3-methylaniline
CID 65479215
N-(bromomethyl)-4-fluoro-3-methylaniline
CID 115261522
3-bromo-N-[(2,6-difluorophenyl)methyl]-5-methylaniline
CID 107582170
4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylaniline
CID 104791781
N-[(2-chloro-6-fluorophenyl)methyl]-3-iodo-4-methylaniline
CID 43230331
N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-3-methylaniline
CID 62810743
3-[(4-fluoro-3-methylanilino)methyl]benzoic acid
CID 103249430
N-(2,6-difluorophenyl)-2-(4-fluoro-3-methylanilino)acetamide
CID 62808904
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-fluoro-3-methylaniline
CID 82686795
2-[2-[(4-fluoro-3-methylanilino)methyl]phenyl]acetic acid
CID 115461942

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-4-fluoro-3-methylaniline?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-4-fluoro-3-methylaniline (CID 55118977) is N-[(2,6-difluorophenyl)methyl]-4-fluoro-3-methylaniline.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-4-fluoro-3-methylaniline?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-4-fluoro-3-methylaniline is Cc1cc(NCc2c(F)cccc2F)ccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-4-fluoro-3-methylaniline?
The InChIKey is XMNLSZCHLFEEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N/c1-9-7-10(5-6-12(9)15)18-8-11-13(16)3-2-4-14(11)17/h2-7,18H,8H2,1H3.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-4-fluoro-3-methylaniline?
N-[(2,6-difluorophenyl)methyl]-4-fluoro-3-methylaniline has a molecular weight of 251.25 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-4-fluoro-3-methylaniline is sourced from PubChem (CID 55118977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).