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

C14H12ClF2N — CID 63645041

IUPAC4-chloro-2-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
SMILESCc1ccc(CNc2ccc(Cl)cc2F)cc1F
InChIInChI=1S/C14H12ClF2N/c1-9-2-3-10(6-12(9)16)8-18-14-5-4-11(15)7-13(14)17/h2-7,18H,8H2,1H3
InChIKeyANPZJNLPGSBHHX-UHFFFAOYSA-N
MW267.71 g/mol
LogP4.54
Rot. Bonds3

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

4-chloro-2-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline (PubChem CID 63645041) has the molecular formula C14H12ClF2N and a molecular weight of 267.71 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
PubChem CID63645041
Molecular FormulaC14H12ClF2N
Molecular Weight267.71 g/mol
Exact Mass267.06
IUPAC Name4-chloro-2-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
SMILESCc1ccc(CNc2ccc(Cl)cc2F)cc1F
InChIInChI=1S/C14H12ClF2N/c1-9-2-3-10(6-12(9)16)8-18-14-5-4-11(15)7-13(14)17/h2-7,18H,8H2,1H3
InChIKeyANPZJNLPGSBHHX-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62120578
4-chloro-2-fluoro-N-[(4-methylphenyl)methyl]aniline
CID 43229744
4-chloro-N-[(3,5-dimethylphenyl)methyl]-2-fluoroaniline
CID 55026237
4-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline
CID 63420408
4-chloro-N-[(3,5-dichlorophenyl)methyl]-2-fluoroaniline
CID 60789911
N-[(4-chlorophenyl)methyl]-2-fluoro-4-methylaniline
CID 28879315
N-[(3-bromo-4-chlorophenyl)methyl]-4-chloro-2-fluoroaniline
CID 83236223
N-[(3-bromo-4-fluorophenyl)methyl]-4-chloro-2-methylaniline
CID 30059054
2,5-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylaniline
CID 103585043
2,3,5-trifluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645876
2,6-dichloro-4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 83076631
2,6-dichloro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 65468543

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline?
The IUPAC name of 4-chloro-2-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline (CID 63645041) is 4-chloro-2-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline.
What is the SMILES notation for 4-chloro-2-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline?
The canonical SMILES for 4-chloro-2-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline is Cc1ccc(CNc2ccc(Cl)cc2F)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline?
The InChIKey is ANPZJNLPGSBHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N/c1-9-2-3-10(6-12(9)16)8-18-14-5-4-11(15)7-13(14)17/h2-7,18H,8H2,1H3.
What are the key properties of 4-chloro-2-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline?
4-chloro-2-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline has a molecular weight of 267.71 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline is sourced from PubChem (CID 63645041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).