[3-[(2,5-dimethylphenoxy)methyl]-2-fluorophenyl]methanamine

C16H18FNO — CID 107114032

IUPAC[3-[(2,5-dimethylphenoxy)methyl]-2-fluorophenyl]methanamine
SMILESCc1ccc(C)c(OCc2cccc(CN)c2F)c1
InChIInChI=1S/C16H18FNO/c1-11-6-7-12(2)15(8-11)19-10-14-5-3-4-13(9-18)16(14)17/h3-8H,9-10,18H2,1-2H3
InChIKeyRKGGPYOLPRKBFW-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.48
Rot. Bonds4

About [3-[(2,5-dimethylphenoxy)methyl]-2-fluorophenyl]methanamine

[3-[(2,5-dimethylphenoxy)methyl]-2-fluorophenyl]methanamine (PubChem CID 107114032) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is [3-[(2,5-dimethylphenoxy)methyl]-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-[(2,5-dimethylphenoxy)methyl]-2-fluorophenyl]methanamine
PubChem CID107114032
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name[3-[(2,5-dimethylphenoxy)methyl]-2-fluorophenyl]methanamine
SMILESCc1ccc(C)c(OCc2cccc(CN)c2F)c1
InChIInChI=1S/C16H18FNO/c1-11-6-7-12(2)15(8-11)19-10-14-5-3-4-13(9-18)16(14)17/h3-8H,9-10,18H2,1-2H3
InChIKeyRKGGPYOLPRKBFW-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

[2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methanamine
CID 107114161
1-[(2,5-dimethylphenoxy)methyl]naphthalene
CID 78906369
2-[[2-(bromomethyl)phenyl]methoxy]-1,4-dimethylbenzene
CID 90113514
[2-(2,5-dimethylphenoxy)-3-methylphenyl]methanamine
CID 107105904
[4-[(2,5-dimethylphenoxy)methyl]-5-methylfuran-2-yl]methanamine
CID 62452684
2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]benzonitrile
CID 103912314
(2,5-dimethylphenoxy)methanamine
CID 89376053
[5-[(2,5-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 65338540
[3-[(4-bromo-3-methylphenoxy)methyl]-2-fluorophenyl]methanamine
CID 107114188
2-[[2-(diiodomethyl)phenyl]methoxy]-1,4-dimethylbenzene
CID 90113511
3-[(2-amino-4-methylphenoxy)methyl]-2-fluorobenzonitrile
CID 107113741
1,2-difluoro-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene
CID 81004752

Frequently Asked Questions

What is the IUPAC name of [3-[(2,5-dimethylphenoxy)methyl]-2-fluorophenyl]methanamine?
The IUPAC name of [3-[(2,5-dimethylphenoxy)methyl]-2-fluorophenyl]methanamine (CID 107114032) is [3-[(2,5-dimethylphenoxy)methyl]-2-fluorophenyl]methanamine.
What is the SMILES notation for [3-[(2,5-dimethylphenoxy)methyl]-2-fluorophenyl]methanamine?
The canonical SMILES for [3-[(2,5-dimethylphenoxy)methyl]-2-fluorophenyl]methanamine is Cc1ccc(C)c(OCc2cccc(CN)c2F)c1.
What is the InChIKey of [3-[(2,5-dimethylphenoxy)methyl]-2-fluorophenyl]methanamine?
The InChIKey is RKGGPYOLPRKBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-6-7-12(2)15(8-11)19-10-14-5-3-4-13(9-18)16(14)17/h3-8H,9-10,18H2,1-2H3.
What are the key properties of [3-[(2,5-dimethylphenoxy)methyl]-2-fluorophenyl]methanamine?
[3-[(2,5-dimethylphenoxy)methyl]-2-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 [3-[(2,5-dimethylphenoxy)methyl]-2-fluorophenyl]methanamine is sourced from PubChem (CID 107114032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).