N-[(3,5-difluoro-4-methylphenyl)methyl]aniline

C14H13F2N — CID 123267459

IUPACN-[(3,5-difluoro-4-methylphenyl)methyl]aniline
SMILESCc1c(F)cc(CNc2ccccc2)cc1F
InChIInChI=1S/C14H13F2N/c1-10-13(15)7-11(8-14(10)16)9-17-12-5-3-2-4-6-12/h2-8,17H,9H2,1H3
InChIKeyDDQIJHRBAOYYIB-UHFFFAOYSA-N
MW233.26 g/mol
LogP3.89
Rot. Bonds3

About N-[(3,5-difluoro-4-methylphenyl)methyl]aniline

N-[(3,5-difluoro-4-methylphenyl)methyl]aniline (PubChem CID 123267459) has the molecular formula C14H13F2N and a molecular weight of 233.26 g/mol. Its IUPAC name is N-[(3,5-difluoro-4-methylphenyl)methyl]aniline.

Molecular Properties

Compound NameN-[(3,5-difluoro-4-methylphenyl)methyl]aniline
PubChem CID123267459
Molecular FormulaC14H13F2N
Molecular Weight233.26 g/mol
Exact Mass233.10
IUPAC NameN-[(3,5-difluoro-4-methylphenyl)methyl]aniline
SMILESCc1c(F)cc(CNc2ccccc2)cc1F
InChIInChI=1S/C14H13F2N/c1-10-13(15)7-11(8-14(10)16)9-17-12-5-3-2-4-6-12/h2-8,17H,9H2,1H3
InChIKeyDDQIJHRBAOYYIB-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

CID 163931246
CID 163931246
N-[(3-chloro-5-methylphenyl)methyl]aniline;ethane
CID 143782368
N-[(2,3,5,6-tetramethylphenyl)methyl]aniline
CID 82129879
N-benzyl-3,4-difluoroaniline
CID 21321396
4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645330
N-[(4-bromo-3-methylphenyl)methyl]aniline
CID 66472770
4-fluoro-3-methyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 63050571
N-[(4-tert-butylphenyl)methyl]aniline
CID 15903167
ethene;N-[(3-methylphenyl)methyl]aniline;molecular hydrogen
CID 168878317
4-N,4-N-dimethyl-1-N-[(3,4,5-trifluorophenyl)methyl]benzene-1,4-diamine
CID 63050848
N-benzyl-4-bromo-3,5-dimethylaniline
CID 107572244
2,6-difluoro-4-[(3-methylsulfanylanilino)methyl]phenol
CID 79831774

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluoro-4-methylphenyl)methyl]aniline?
The IUPAC name of N-[(3,5-difluoro-4-methylphenyl)methyl]aniline (CID 123267459) is N-[(3,5-difluoro-4-methylphenyl)methyl]aniline.
What is the SMILES notation for N-[(3,5-difluoro-4-methylphenyl)methyl]aniline?
The canonical SMILES for N-[(3,5-difluoro-4-methylphenyl)methyl]aniline is Cc1c(F)cc(CNc2ccccc2)cc1F.
What is the InChIKey of N-[(3,5-difluoro-4-methylphenyl)methyl]aniline?
The InChIKey is DDQIJHRBAOYYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N/c1-10-13(15)7-11(8-14(10)16)9-17-12-5-3-2-4-6-12/h2-8,17H,9H2,1H3.
What are the key properties of N-[(3,5-difluoro-4-methylphenyl)methyl]aniline?
N-[(3,5-difluoro-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 N-[(3,5-difluoro-4-methylphenyl)methyl]aniline is sourced from PubChem (CID 123267459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).