N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine

C16H18FNO — CID 104791514

IUPACN-[(2-fluoro-3-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
SMILESCOc1cccc(CNCc2ccc(C)cc2)c1F
InChIInChI=1S/C16H18FNO/c1-12-6-8-13(9-7-12)10-18-11-14-4-3-5-15(19-2)16(14)17/h3-9,18H,10-11H2,1-2H3
InChIKeyVCJOKYSKKCMMGC-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.43
Rot. Bonds5

About N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine

N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine (PubChem CID 104791514) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-fluoro-3-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
PubChem CID104791514
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC NameN-[(2-fluoro-3-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
SMILESCOc1cccc(CNCc2ccc(C)cc2)c1F
InChIInChI=1S/C16H18FNO/c1-12-6-8-13(9-7-12)10-18-11-14-4-3-5-15(19-2)16(14)17/h3-9,18H,10-11H2,1-2H3
InChIKeyVCJOKYSKKCMMGC-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

1-(2-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 104791604
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 39422668
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17292771
1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)propan-2-one
CID 104793411
N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 104791777
N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(3-nitrophenyl)methanamine
CID 104791766
N-[(2-fluoro-3-methoxyphenyl)methyl]prop-2-en-1-amine
CID 104791408
N-chloro-1-(2-fluoro-3-methoxyphenyl)methanamine
CID 89169985
1-[(2-fluoro-3-methoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 104791866
N-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine
CID 107348887
N-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine
CID 104791911
4-(chloromethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104794881

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine?
The IUPAC name of N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine (CID 104791514) is N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine.
What is the SMILES notation for N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine?
The canonical SMILES for N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine is COc1cccc(CNCc2ccc(C)cc2)c1F.
What is the InChIKey of N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine?
The InChIKey is VCJOKYSKKCMMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12-6-8-13(9-7-12)10-18-11-14-4-3-5-15(19-2)16(14)17/h3-9,18H,10-11H2,1-2H3.
What are the key properties of N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine?
N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(4-methylphenyl)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 N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 104791514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).