1-[2-[(3-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine

C16H18FNO — CID 112608310

IUPAC1-[2-[(3-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1cccc(C)c1OCc1cccc(F)c1
InChIInChI=1S/C16H18FNO/c1-12-5-3-7-14(10-18-2)16(12)19-11-13-6-4-8-15(17)9-13/h3-9,18H,10-11H2,1-2H3
InChIKeyHZMFYSGLSGHCGD-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.43
Rot. Bonds5

About 1-[2-[(3-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine

1-[2-[(3-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine (PubChem CID 112608310) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-[2-[(3-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(3-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
PubChem CID112608310
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name1-[2-[(3-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1cccc(C)c1OCc1cccc(F)c1
InChIInChI=1S/C16H18FNO/c1-12-5-3-7-14(10-18-2)16(12)19-11-13-6-4-8-15(17)9-13/h3-9,18H,10-11H2,1-2H3
InChIKeyHZMFYSGLSGHCGD-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-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952132
1-[2-[(3,4-dichlorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952133
N-methyl-1-[3-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 112608398
1-[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 114345835
2-fluoro-3-[[2-methyl-6-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 107114294
N-[[3-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 115952940
1-[3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 79703239
1-[2-[(2-methoxyphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952135
5-bromo-1-(bromomethyl)-2-[(3-fluorophenyl)methoxy]-3-methylbenzene
CID 112621396
N-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 43471952
2-[2-methyl-6-(methylaminomethyl)phenoxy]acetonitrile
CID 112608438
1-fluoro-3-[[2-[(3-fluorophenyl)methyl]phenoxy]methyl]benzene
CID 141193012

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(3-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine (CID 112608310) is 1-[2-[(3-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(3-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(3-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine is CNCc1cccc(C)c1OCc1cccc(F)c1.
What is the InChIKey of 1-[2-[(3-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine?
The InChIKey is HZMFYSGLSGHCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12-5-3-7-14(10-18-2)16(12)19-11-13-6-4-8-15(17)9-13/h3-9,18H,10-11H2,1-2H3.
What are the key properties of 1-[2-[(3-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine?
1-[2-[(3-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine 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-[(3-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 112608310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).