1-(2-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine

C16H18FNO — CID 104791604

IUPAC1-(2-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
SMILESCOc1cccc(CNCc2ccccc2C)c1F
InChIInChI=1S/C16H18FNO/c1-12-6-3-4-7-13(12)10-18-11-14-8-5-9-15(19-2)16(14)17/h3-9,18H,10-11H2,1-2H3
InChIKeyXWIFYLVHJDTEJJ-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.43
Rot. Bonds5

About 1-(2-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine

1-(2-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine (PubChem CID 104791604) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
PubChem CID104791604
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
SMILESCOc1cccc(CNCc2ccccc2C)c1F
InChIInChI=1S/C16H18FNO/c1-12-6-3-4-7-13(12)10-18-11-14-8-5-9-15(19-2)16(14)17/h3-9,18H,10-11H2,1-2H3
InChIKeyXWIFYLVHJDTEJJ-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 104791514
N-[(2-fluoro-3-methoxyphenyl)methyl]prop-2-en-1-amine
CID 104791408
N-chloro-1-(2-fluoro-3-methoxyphenyl)methanamine
CID 89169985
2-(2-fluoro-3-methoxyphenyl)-1-(2-methylphenyl)ethanone
CID 113453726
1-[(2-fluoro-3-methoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 104791866
N-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine
CID 104791911
N-[(2-fluoro-3-methoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 113453546
N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 104791777
1-(2,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 39370180
N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 104791736
1-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 113453542
2-fluoro-3-[[(2-methoxyphenyl)methylamino]methyl]benzonitrile
CID 107114339

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine (CID 104791604) is 1-(2-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine is COc1cccc(CNCc2ccccc2C)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine?
The InChIKey is XWIFYLVHJDTEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12-6-3-4-7-13(12)10-18-11-14-8-5-9-15(19-2)16(14)17/h3-9,18H,10-11H2,1-2H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine?
1-(2-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine has a molecular weight of 259.32 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine is sourced from PubChem (CID 104791604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).