[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]methanamine

C16H18FNO — CID 64765020

IUPAC[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]methanamine
SMILESCc1ccc(OCc2cc(F)ccc2CN)c(C)c1
InChIInChI=1S/C16H18FNO/c1-11-3-6-16(12(2)7-11)19-10-14-8-15(17)5-4-13(14)9-18/h3-8H,9-10,18H2,1-2H3
InChIKeyXOMNCBROSYAPHA-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.48
Rot. Bonds4

About [2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]methanamine

[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]methanamine (PubChem CID 64765020) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is [2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]methanamine
PubChem CID64765020
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]methanamine
SMILESCc1ccc(OCc2cc(F)ccc2CN)c(C)c1
InChIInChI=1S/C16H18FNO/c1-11-3-6-16(12(2)7-11)19-10-14-8-15(17)5-4-13(14)9-18/h3-8H,9-10,18H2,1-2H3
InChIKeyXOMNCBROSYAPHA-UHFFFAOYSA-N
XLogP3.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-fluoro-2-[(2-methylphenoxy)methyl]phenyl]methanamine
CID 64763729
1-[(2-chloro-4-fluorophenyl)methoxy]-2,4-dimethylbenzene
CID 60627601
[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 43314141
[5-fluoro-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanamine
CID 107694762
ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]carbamate
CID 129039328
[2-[(2-bromo-4-methoxyphenoxy)methyl]-4-fluorophenyl]methanamine
CID 104706865
2-(chloromethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
CID 107698706
2-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
CID 107698949
[2-[(2,5-dimethylphenyl)methoxy]-5-fluorophenyl]methanol
CID 107698577
2-[(2-chloro-5-fluorophenyl)methoxy]-5-methylaniline
CID 102615044
[2-[(5-bromo-2,3-difluorophenoxy)methyl]-4-fluorophenyl]methanamine
CID 107097834
[2-[(2,4-dimethylphenoxy)methyl]-3-pyridinyl]methanamine
CID 114199212

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]methanamine?
The IUPAC name of [2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]methanamine (CID 64765020) is [2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]methanamine.
What is the SMILES notation for [2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]methanamine?
The canonical SMILES for [2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]methanamine is Cc1ccc(OCc2cc(F)ccc2CN)c(C)c1.
What is the InChIKey of [2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]methanamine?
The InChIKey is XOMNCBROSYAPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-3-6-16(12(2)7-11)19-10-14-8-15(17)5-4-13(14)9-18/h3-8H,9-10,18H2,1-2H3.
What are the key properties of [2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]methanamine?
[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]methanamine has a molecular weight of 259.32 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]methanamine is sourced from PubChem (CID 64765020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).