1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine

C16H18FNO2 — CID 104791273

IUPAC1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2cccc(OC)c2F)cc1
InChIInChI=1S/C16H18FNO2/c1-18-10-12-6-8-14(9-7-12)20-11-13-4-3-5-15(19-2)16(13)17/h3-9,18H,10-11H2,1-2H3
InChIKeyKQGKFKQAXKFXIT-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.13
Rot. Bonds6

About 1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine

1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 104791273) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
PubChem CID104791273
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2cccc(OC)c2F)cc1
InChIInChI=1S/C16H18FNO2/c1-18-10-12-6-8-14(9-7-12)20-11-13-4-3-5-15(19-2)16(13)17/h3-9,18H,10-11H2,1-2H3
InChIKeyKQGKFKQAXKFXIT-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(bromomethyl)phenoxy]methyl]-2-fluoro-3-methoxybenzene
CID 104792542
4-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile
CID 104792136
1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]propan-2-ol
CID 104792506
3-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile
CID 104792137
1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 107305705
2-fluoro-5-[(2-fluoro-3-methoxyphenyl)methoxy]aniline
CID 58021961
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160
1-[4-[(2,6-dimethoxyphenoxy)methyl]phenyl]-N-methylmethanamine
CID 62450181
1-[3-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 43658767
1-[(2-ethylphenoxy)methyl]-2-fluoro-3-methoxybenzene
CID 104795197
1-[4-fluoro-3-[(4-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 107457393
N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 104791514

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine (CID 104791273) is 1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine is CNCc1ccc(OCc2cccc(OC)c2F)cc1.
What is the InChIKey of 1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is KQGKFKQAXKFXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-18-10-12-6-8-14(9-7-12)20-11-13-4-3-5-15(19-2)16(13)17/h3-9,18H,10-11H2,1-2H3.
What are the key properties of 1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine?
1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 275.32 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 104791273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).