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

C16H18FNO — CID 62121796

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-2-(methoxymethyl)aniline
SMILESCOCc1ccccc1NCc1ccc(F)c(C)c1
InChIInChI=1S/C16H18FNO/c1-12-9-13(7-8-15(12)17)10-18-16-6-4-3-5-14(16)11-19-2/h3-9,18H,10-11H2,1-2H3
InChIKeyASZQPCQDZULABV-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.89
Rot. Bonds5

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

N-[(4-fluoro-3-methylphenyl)methyl]-2-(methoxymethyl)aniline (PubChem CID 62121796) 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-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-2-(methoxymethyl)aniline
PubChem CID62121796
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-2-(methoxymethyl)aniline
SMILESCOCc1ccccc1NCc1ccc(F)c(C)c1
InChIInChI=1S/C16H18FNO/c1-12-9-13(7-8-15(12)17)10-18-16-6-4-3-5-14(16)11-19-2/h3-9,18H,10-11H2,1-2H3
InChIKeyASZQPCQDZULABV-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-3-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 62121979
N-benzyl-2-(methoxymethyl)aniline
CID 43677932
N-[(4-chloro-2-fluorophenyl)methyl]-2-(methoxymethyl)aniline
CID 114841617
2-(methoxymethyl)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]aniline
CID 75385082
2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 55244992
2-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-3-methylaniline
CID 114251741
2,5-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylaniline
CID 103585043
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)aniline
CID 43677844
3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylaniline
CID 63419437
N-[(3-ethoxyphenyl)methyl]-2-(methoxymethyl)aniline
CID 60874269
N-[(3-fluoro-4-methylphenyl)methyl]-2-propylaniline
CID 63645034
N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-methylaniline
CID 55040204

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-(methoxymethyl)aniline?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-(methoxymethyl)aniline (CID 62121796) is N-[(4-fluoro-3-methylphenyl)methyl]-2-(methoxymethyl)aniline.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-2-(methoxymethyl)aniline?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-2-(methoxymethyl)aniline is COCc1ccccc1NCc1ccc(F)c(C)c1.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-2-(methoxymethyl)aniline?
The InChIKey is ASZQPCQDZULABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12-9-13(7-8-15(12)17)10-18-16-6-4-3-5-14(16)11-19-2/h3-9,18H,10-11H2,1-2H3.
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-2-(methoxymethyl)aniline?
N-[(4-fluoro-3-methylphenyl)methyl]-2-(methoxymethyl)aniline has a molecular weight of 259.32 g/mol, XLogP of 3.89, 5 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-(methoxymethyl)aniline is sourced from PubChem (CID 62121796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).