N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-methylaniline

C16H18FNO — CID 55040204

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-methylaniline
SMILESCOc1cc(C)ccc1NCc1ccc(F)c(C)c1
InChIInChI=1S/C16H18FNO/c1-11-4-7-15(16(8-11)19-3)18-10-13-5-6-14(17)12(2)9-13/h4-9,18H,10H2,1-3H3
InChIKeyBZBYANYVLQULDN-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.06
Rot. Bonds4

About N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-methylaniline

N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-methylaniline (PubChem CID 55040204) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-methylaniline.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-methylaniline
PubChem CID55040204
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-methylaniline
SMILESCOc1cc(C)ccc1NCc1ccc(F)c(C)c1
InChIInChI=1S/C16H18FNO/c1-11-4-7-15(16(8-11)19-3)18-10-13-5-6-14(17)12(2)9-13/h4-9,18H,10H2,1-3H3
InChIKeyBZBYANYVLQULDN-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluoro-3-methylphenyl)methyl]-2,4-dimethoxyaniline
CID 62122449
2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 54865900
N-[(3,5-difluorophenyl)methyl]-2-methoxy-4-methylaniline
CID 103852096
4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 63419097
4-[(2-methoxy-4-methylanilino)methyl]-2,6-dimethylphenol
CID 60931109
2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865901
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline
CID 43235538
5-bromo-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxyaniline
CID 62122161
N-[(3-chloro-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 65022563
N-[(4-tert-butylphenyl)methyl]-2-methoxy-4-methylaniline
CID 63451276
N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18129838
N-benzyl-2-methoxy-4-methylaniline
CID 54865649

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-methylaniline?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-methylaniline (CID 55040204) is N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-methylaniline.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-methylaniline?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-methylaniline is COc1cc(C)ccc1NCc1ccc(F)c(C)c1.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-methylaniline?
The InChIKey is BZBYANYVLQULDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-4-7-15(16(8-11)19-3)18-10-13-5-6-14(17)12(2)9-13/h4-9,18H,10H2,1-3H3.
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-methylaniline?
N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-methylaniline has a molecular weight of 259.32 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-methylaniline is sourced from PubChem (CID 55040204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).