1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine

C16H18FNO — CID 43279242

IUPAC1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C16H18FNO/c1-12(18-2)13-7-9-15(10-8-13)19-11-14-5-3-4-6-16(14)17/h3-10,12,18H,11H2,1-2H3
InChIKeyXKKRVMJLXCZSDF-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.69
Rot. Bonds5

About 1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine

1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine (PubChem CID 43279242) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
PubChem CID43279242
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C16H18FNO/c1-12(18-2)13-7-9-15(10-8-13)19-11-14-5-3-4-6-16(14)17/h3-10,12,18H,11H2,1-2H3
InChIKeyXKKRVMJLXCZSDF-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-2-[(4-propan-2-ylphenoxy)methyl]benzene
CID 60627565
1-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 63937562
1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine
CID 107305773
N-methyl-1-[4-(2-phenoxyethoxy)phenyl]ethanamine
CID 43285217
methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanoate
CID 171865239
1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 79776321
2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide
CID 10064347
N-[3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropyl]acetamide
CID 170831246
1-[1-(4-ethoxyphenyl)ethyl]-3-[(2-fluorophenyl)methyl]urea
CID 16579741
1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 82975373
[4-[(2-fluorophenyl)methoxy]phenyl]-methyl-methylideneazanium
CID 123448679
(1R)-1-[3-[(2-fluorophenyl)methoxy]phenyl]ethanol
CID 55189004

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine (CID 43279242) is 1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine is CNC(C)c1ccc(OCc2ccccc2F)cc1.
What is the InChIKey of 1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine?
The InChIKey is XKKRVMJLXCZSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12(18-2)13-7-9-15(10-8-13)19-11-14-5-3-4-6-16(14)17/h3-10,12,18H,11H2,1-2H3.
What are the key properties of 1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine?
1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine has a molecular weight of 259.32 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine is sourced from PubChem (CID 43279242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).