4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline

C14H13F2N — CID 63645330

IUPAC4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
SMILESCc1ccc(CNc2ccc(F)cc2)cc1F
InChIInChI=1S/C14H13F2N/c1-10-2-3-11(8-14(10)16)9-17-13-6-4-12(15)5-7-13/h2-8,17H,9H2,1H3
InChIKeyVRMJSWNZMHFIBD-UHFFFAOYSA-N
MW233.26 g/mol
LogP3.89
Rot. Bonds3

About 4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline

4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline (PubChem CID 63645330) has the molecular formula C14H13F2N and a molecular weight of 233.26 g/mol. Its IUPAC name is 4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
PubChem CID63645330
Molecular FormulaC14H13F2N
Molecular Weight233.26 g/mol
Exact Mass233.10
IUPAC Name4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
SMILESCc1ccc(CNc2ccc(F)cc2)cc1F
InChIInChI=1S/C14H13F2N/c1-10-2-3-11(8-14(10)16)9-17-13-6-4-12(15)5-7-13/h2-8,17H,9H2,1H3
InChIKeyVRMJSWNZMHFIBD-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 55245178
N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxyaniline
CID 55245180
N-[(3,4-dimethylphenyl)methyl]-3-fluoro-4-methylaniline
CID 43764440
4-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-3-methylaniline
CID 63645668
N-[(3-fluoro-4-methylphenyl)methyl]-4-propoxyaniline
CID 63645716
N-[(3-fluoro-4-methylphenyl)methyl]-4-pyrazol-1-ylaniline
CID 63645199
4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337
N-[5-[(3-fluoro-4-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 63645883
2,6-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63644666
3-chloro-N-[(3,4-difluorophenyl)methyl]-4-methylaniline
CID 29045125
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 38949085
2,6-dichloro-4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 83076631

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline?
The IUPAC name of 4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline (CID 63645330) is 4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline.
What is the SMILES notation for 4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline?
The canonical SMILES for 4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline is Cc1ccc(CNc2ccc(F)cc2)cc1F.
What is the InChIKey of 4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline?
The InChIKey is VRMJSWNZMHFIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N/c1-10-2-3-11(8-14(10)16)9-17-13-6-4-12(15)5-7-13/h2-8,17H,9H2,1H3.
What are the key properties of 4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline?
4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline has a molecular weight of 233.26 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline is sourced from PubChem (CID 63645330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).