N-[[3-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine

C17H20FNO — CID 115953307

IUPACN-[[3-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(F)c1OCc1ccccc1C
InChIInChI=1S/C17H20FNO/c1-3-19-11-14-9-6-10-16(18)17(14)20-12-15-8-5-4-7-13(15)2/h4-10,19H,3,11-12H2,1-2H3
InChIKeyWBNRVAFSUXRVNI-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.82
Rot. Bonds6

About N-[[3-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine

N-[[3-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine (PubChem CID 115953307) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[[3-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
PubChem CID115953307
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC NameN-[[3-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(F)c1OCc1ccccc1C
InChIInChI=1S/C17H20FNO/c1-3-19-11-14-9-6-10-16(18)17(14)20-12-15-8-5-4-7-13(15)2/h4-10,19H,3,11-12H2,1-2H3
InChIKeyWBNRVAFSUXRVNI-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 115953355
N-[[3-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 115952978
N-[[3-fluoro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 112609536
N-[[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115952657
N-[[3-fluoro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 112609567
N-[[3-fluoro-2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 112609648
N-[[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 115953026
2-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]benzonitrile
CID 115952624
methyl 2-[2-(ethylaminomethyl)-6-fluorophenoxy]acetate
CID 112609552
N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115952569
N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine
CID 97179094
2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-methylacetamide
CID 112609657

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine (CID 115953307) is N-[[3-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine is CCNCc1cccc(F)c1OCc1ccccc1C.
What is the InChIKey of N-[[3-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is WBNRVAFSUXRVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-3-19-11-14-9-6-10-16(18)17(14)20-12-15-8-5-4-7-13(15)2/h4-10,19H,3,11-12H2,1-2H3.
What are the key properties of N-[[3-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine?
N-[[3-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 273.35 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 115953307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).