N-[(2-fluoro-6-methoxyphenyl)-(4-fluorophenyl)methyl]ethanamine

C16H17F2NO — CID 65432269

IUPACN-[(2-fluoro-6-methoxyphenyl)-(4-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1)c1c(F)cccc1OC
InChIInChI=1S/C16H17F2NO/c1-3-19-16(11-7-9-12(17)10-8-11)15-13(18)5-4-6-14(15)20-2/h4-10,16,19H,3H2,1-2H3
InChIKeyINTFVRKHLRSWNV-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.67
Rot. Bonds5

About N-[(2-fluoro-6-methoxyphenyl)-(4-fluorophenyl)methyl]ethanamine

N-[(2-fluoro-6-methoxyphenyl)-(4-fluorophenyl)methyl]ethanamine (PubChem CID 65432269) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is N-[(2-fluoro-6-methoxyphenyl)-(4-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-6-methoxyphenyl)-(4-fluorophenyl)methyl]ethanamine
PubChem CID65432269
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC NameN-[(2-fluoro-6-methoxyphenyl)-(4-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1)c1c(F)cccc1OC
InChIInChI=1S/C16H17F2NO/c1-3-19-16(11-7-9-12(17)10-8-11)15-13(18)5-4-6-14(15)20-2/h4-10,16,19H,3H2,1-2H3
InChIKeyINTFVRKHLRSWNV-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dichlorophenyl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine
CID 65433237
N-[(2-fluoro-6-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 79722384
N-[(4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43488877
N-[(2,6-dimethoxyphenyl)-phenylmethyl]ethanamine
CID 43489150
N-[(2-fluoro-6-methoxyphenyl)-thiophen-2-ylmethyl]ethanamine
CID 65432847
N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-(4-fluorophenyl)ethanamine
CID 65433838
1-(4-ethylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine
CID 65434197
N-[(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine
CID 114658521
N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]ethanamine
CID 43488909
N-[(4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680359
N-[(2-bromo-6-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 114558922
[(4-ethylphenyl)-(2-fluoro-6-methoxyphenyl)methyl]hydrazine
CID 105252548

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-6-methoxyphenyl)-(4-fluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(2-fluoro-6-methoxyphenyl)-(4-fluorophenyl)methyl]ethanamine (CID 65432269) is N-[(2-fluoro-6-methoxyphenyl)-(4-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-fluoro-6-methoxyphenyl)-(4-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-fluoro-6-methoxyphenyl)-(4-fluorophenyl)methyl]ethanamine is CCNC(c1ccc(F)cc1)c1c(F)cccc1OC.
What is the InChIKey of N-[(2-fluoro-6-methoxyphenyl)-(4-fluorophenyl)methyl]ethanamine?
The InChIKey is INTFVRKHLRSWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-3-19-16(11-7-9-12(17)10-8-11)15-13(18)5-4-6-14(15)20-2/h4-10,16,19H,3H2,1-2H3.
What are the key properties of N-[(2-fluoro-6-methoxyphenyl)-(4-fluorophenyl)methyl]ethanamine?
N-[(2-fluoro-6-methoxyphenyl)-(4-fluorophenyl)methyl]ethanamine has a molecular weight of 277.31 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-6-methoxyphenyl)-(4-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 65432269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).