1-(2-fluoro-4,6-dimethylphenyl)-3-phenoxypropan-1-amine

C17H20FNO — CID 106881236

IUPAC1-(2-fluoro-4,6-dimethylphenyl)-3-phenoxypropan-1-amine
SMILESCc1cc(C)c(C(N)CCOc2ccccc2)c(F)c1
InChIInChI=1S/C17H20FNO/c1-12-10-13(2)17(15(18)11-12)16(19)8-9-20-14-6-4-3-5-7-14/h3-7,10-11,16H,8-9,19H2,1-2H3
InChIKeyVECAVMYZDCMAFE-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.91
Rot. Bonds5

About 1-(2-fluoro-4,6-dimethylphenyl)-3-phenoxypropan-1-amine

1-(2-fluoro-4,6-dimethylphenyl)-3-phenoxypropan-1-amine (PubChem CID 106881236) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-(2-fluoro-4,6-dimethylphenyl)-3-phenoxypropan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-4,6-dimethylphenyl)-3-phenoxypropan-1-amine
PubChem CID106881236
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-(2-fluoro-4,6-dimethylphenyl)-3-phenoxypropan-1-amine
SMILESCc1cc(C)c(C(N)CCOc2ccccc2)c(F)c1
InChIInChI=1S/C17H20FNO/c1-12-10-13(2)17(15(18)11-12)16(19)8-9-20-14-6-4-3-5-7-14/h3-7,10-11,16H,8-9,19H2,1-2H3
InChIKeyVECAVMYZDCMAFE-UHFFFAOYSA-N
XLogP3.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanamine
CID 106881398
1-(5-fluoro-2-methylphenyl)-3-phenoxypropan-1-amine
CID 55134645
3,3,3-trifluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine
CID 106881387
1-(2,6-difluoro-3-methylphenyl)-2-phenoxyethanamine
CID 82822133
(2-fluoro-4,6-dimethylphenyl)-quinoxalin-5-ylmethanamine
CID 106883959
1-(4-fluoro-3-methylphenyl)-3-phenoxypropan-1-ol
CID 62608597
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propan-1-amine
CID 105143129
(2S)-4-phenoxybutane-1,2-diamine
CID 131851229
3,5-dimethyl-2-(2-phenoxyethoxy)aniline
CID 54853263
[1-(2-fluoro-4,6-dimethylphenyl)-3-phenylpropyl]hydrazine
CID 106884252
1-(7-methyl-1-benzofuran-2-yl)-3-phenoxypropan-1-amine
CID 114727504
[1-(3,5-dimethylphenyl)-3-phenoxypropyl]hydrazine
CID 105191519

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-3-phenoxypropan-1-amine?
The IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-3-phenoxypropan-1-amine (CID 106881236) is 1-(2-fluoro-4,6-dimethylphenyl)-3-phenoxypropan-1-amine.
What is the SMILES notation for 1-(2-fluoro-4,6-dimethylphenyl)-3-phenoxypropan-1-amine?
The canonical SMILES for 1-(2-fluoro-4,6-dimethylphenyl)-3-phenoxypropan-1-amine is Cc1cc(C)c(C(N)CCOc2ccccc2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4,6-dimethylphenyl)-3-phenoxypropan-1-amine?
The InChIKey is VECAVMYZDCMAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-12-10-13(2)17(15(18)11-12)16(19)8-9-20-14-6-4-3-5-7-14/h3-7,10-11,16H,8-9,19H2,1-2H3.
What are the key properties of 1-(2-fluoro-4,6-dimethylphenyl)-3-phenoxypropan-1-amine?
1-(2-fluoro-4,6-dimethylphenyl)-3-phenoxypropan-1-amine has a molecular weight of 273.35 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4,6-dimethylphenyl)-3-phenoxypropan-1-amine is sourced from PubChem (CID 106881236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).