N-[(2-aminophenyl)methyl]-2,5-difluoro-4-methylaniline

C14H14F2N2 — CID 103584865

IUPACN-[(2-aminophenyl)methyl]-2,5-difluoro-4-methylaniline
SMILESCc1cc(F)c(NCc2ccccc2N)cc1F
InChIInChI=1S/C14H14F2N2/c1-9-6-12(16)14(7-11(9)15)18-8-10-4-2-3-5-13(10)17/h2-7,18H,8,17H2,1H3
InChIKeyATRHSLXQKNOJTP-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.47
Rot. Bonds3

About N-[(2-aminophenyl)methyl]-2,5-difluoro-4-methylaniline

N-[(2-aminophenyl)methyl]-2,5-difluoro-4-methylaniline (PubChem CID 103584865) has the molecular formula C14H14F2N2 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2,5-difluoro-4-methylaniline.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2,5-difluoro-4-methylaniline
PubChem CID103584865
Molecular FormulaC14H14F2N2
Molecular Weight248.28 g/mol
Exact Mass248.11
IUPAC NameN-[(2-aminophenyl)methyl]-2,5-difluoro-4-methylaniline
SMILESCc1cc(F)c(NCc2ccccc2N)cc1F
InChIInChI=1S/C14H14F2N2/c1-9-6-12(16)14(7-11(9)15)18-8-10-4-2-3-5-13(10)17/h2-7,18H,8,17H2,1H3
InChIKeyATRHSLXQKNOJTP-UHFFFAOYSA-N
XLogP3.47
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-2,5-difluoro-4-methylaniline
CID 103585263
N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoro-4-methylaniline
CID 103585009
1-N-[(2-bromophenyl)methyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590055
N-[(2-aminophenyl)methyl]-2,5-dimethylaniline
CID 66387234
N-[(2-aminophenyl)methyl]-2,3-difluoroaniline
CID 66419423
2-N-[(2-fluorophenyl)methyl]-4,5-dimethylbenzene-1,2-diamine
CID 115126755
4-fluoro-5-methyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,2-diamine
CID 103590333
4-chloro-5-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 66077026
N-[(2-aminophenyl)methyl]-2-chloro-3-methylaniline
CID 114251754
N-[(2-aminophenyl)methyl]-2,3,5,6-tetrafluoroaniline
CID 107643970
2,5-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylaniline
CID 103585043
2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 60903784

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-2,5-difluoro-4-methylaniline?
The IUPAC name of N-[(2-aminophenyl)methyl]-2,5-difluoro-4-methylaniline (CID 103584865) is N-[(2-aminophenyl)methyl]-2,5-difluoro-4-methylaniline.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2,5-difluoro-4-methylaniline?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2,5-difluoro-4-methylaniline is Cc1cc(F)c(NCc2ccccc2N)cc1F.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2,5-difluoro-4-methylaniline?
The InChIKey is ATRHSLXQKNOJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2/c1-9-6-12(16)14(7-11(9)15)18-8-10-4-2-3-5-13(10)17/h2-7,18H,8,17H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-2,5-difluoro-4-methylaniline?
N-[(2-aminophenyl)methyl]-2,5-difluoro-4-methylaniline has a molecular weight of 248.28 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-2,5-difluoro-4-methylaniline is sourced from PubChem (CID 103584865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).