N-[(4-fluoro-2-methylphenyl)methyl]-2,4,6-trimethylaniline

C17H20FN — CID 63448392

IUPACN-[(4-fluoro-2-methylphenyl)methyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(NCc2ccc(F)cc2C)c(C)c1
InChIInChI=1S/C17H20FN/c1-11-7-13(3)17(14(4)8-11)19-10-15-5-6-16(18)9-12(15)2/h5-9,19H,10H2,1-4H3
InChIKeyWSFPOKHVYXRARW-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.67
Rot. Bonds3

About N-[(4-fluoro-2-methylphenyl)methyl]-2,4,6-trimethylaniline

N-[(4-fluoro-2-methylphenyl)methyl]-2,4,6-trimethylaniline (PubChem CID 63448392) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylphenyl)methyl]-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylphenyl)methyl]-2,4,6-trimethylaniline
PubChem CID63448392
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC NameN-[(4-fluoro-2-methylphenyl)methyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(NCc2ccc(F)cc2C)c(C)c1
InChIInChI=1S/C17H20FN/c1-11-7-13(3)17(14(4)8-11)19-10-15-5-6-16(18)9-12(15)2/h5-9,19H,10H2,1-4H3
InChIKeyWSFPOKHVYXRARW-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-6-methylaniline
CID 66251464
N-[(4-fluoro-2-methylphenyl)methyl]-2-methylaniline
CID 62125415
2-bromo-6-chloro-4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]aniline
CID 107610276
(4-fluoro-2-methylphenyl)methylhydrazine
CID 62134816
4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]-2-iodoaniline
CID 79768402
2-chloro-N-[(2,4-dimethylphenyl)methyl]-5-fluoroaniline
CID 107527051
2-chloro-N-[(2,4-dimethylphenyl)methyl]-4,6-difluoroaniline
CID 83081787
N-[(2,3-dimethylphenyl)methyl]-2,4,6-trimethylaniline
CID 55191577
4-bromo-2,5-difluoro-N-[(4-fluoro-2-methylphenyl)methyl]aniline
CID 107609530
N-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115924781
N-[(4-fluoro-2-methylphenyl)methyl]-3-iodoaniline
CID 63421874
1-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-2-methylpropan-2-amine
CID 114349105

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-2,4,6-trimethylaniline?
The IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-2,4,6-trimethylaniline (CID 63448392) is N-[(4-fluoro-2-methylphenyl)methyl]-2,4,6-trimethylaniline.
What is the SMILES notation for N-[(4-fluoro-2-methylphenyl)methyl]-2,4,6-trimethylaniline?
The canonical SMILES for N-[(4-fluoro-2-methylphenyl)methyl]-2,4,6-trimethylaniline is Cc1cc(C)c(NCc2ccc(F)cc2C)c(C)c1.
What is the InChIKey of N-[(4-fluoro-2-methylphenyl)methyl]-2,4,6-trimethylaniline?
The InChIKey is WSFPOKHVYXRARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-11-7-13(3)17(14(4)8-11)19-10-15-5-6-16(18)9-12(15)2/h5-9,19H,10H2,1-4H3.
What are the key properties of N-[(4-fluoro-2-methylphenyl)methyl]-2,4,6-trimethylaniline?
N-[(4-fluoro-2-methylphenyl)methyl]-2,4,6-trimethylaniline has a molecular weight of 257.35 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methylphenyl)methyl]-2,4,6-trimethylaniline is sourced from PubChem (CID 63448392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).