(1R)-2-(2,6-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine

C16H18FNO — CID 30429316

IUPAC(1R)-2-(2,6-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine
SMILESCc1cccc(C)c1OC[C@H](N)c1ccc(F)cc1
InChIInChI=1S/C16H18FNO/c1-11-4-3-5-12(2)16(11)19-10-15(18)13-6-8-14(17)9-7-13/h3-9,15H,10,18H2,1-2H3/t15-/m0/s1
InChIKeyAFMCGWJRVXKZDT-HNNXBMFYSA-N
MW259.32 g/mol
LogP3.52
Rot. Bonds4

About (1R)-2-(2,6-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine

(1R)-2-(2,6-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine (PubChem CID 30429316) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is (1R)-2-(2,6-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-2-(2,6-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine
PubChem CID30429316
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name(1R)-2-(2,6-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine
SMILESCc1cccc(C)c1OC[C@H](N)c1ccc(F)cc1
InChIInChI=1S/C16H18FNO/c1-11-4-3-5-12(2)16(11)19-10-15(18)13-6-8-14(17)9-7-13/h3-9,15H,10,18H2,1-2H3/t15-/m0/s1
InChIKeyAFMCGWJRVXKZDT-HNNXBMFYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-(2,6-dimethylphenoxy)-1-phenylethanamine
CID 10377047
2-(2,6-dimethylphenoxy)-1-(4-ethylphenyl)ethanamine
CID 43100320
2-(4-chloro-3,5-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine
CID 82027729
2-(2-fluorophenoxy)-1-(4-fluorophenyl)ethanamine
CID 16784701
1-(4-fluorophenyl)-2-phenoxyethanamine;hydrochloride
CID 138991019
(1S)-2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride
CID 164614673
2-(2,6-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanamine
CID 43093894
2-(4-fluorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 16788405
2-(4-bromophenoxy)-1-(4-fluorophenyl)ethanamine
CID 82027726
1-[4-(aminomethyl)phenyl]-2-(2,6-dimethylphenoxy)ethanol
CID 43531485
2-(2-fluoro-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine
CID 107656314
1-(2,6-dimethylphenoxy)-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propan-2-ol
CID 138959567

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(2,6-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine?
The IUPAC name of (1R)-2-(2,6-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine (CID 30429316) is (1R)-2-(2,6-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for (1R)-2-(2,6-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for (1R)-2-(2,6-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine is Cc1cccc(C)c1OC[C@H](N)c1ccc(F)cc1.
What is the InChIKey of (1R)-2-(2,6-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine?
The InChIKey is AFMCGWJRVXKZDT-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-4-3-5-12(2)16(11)19-10-15(18)13-6-8-14(17)9-7-13/h3-9,15H,10,18H2,1-2H3/t15-/m0/s1.
What are the key properties of (1R)-2-(2,6-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine?
(1R)-2-(2,6-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine has a molecular weight of 259.32 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(2,6-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 30429316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).