3-(2,2-difluoroethoxy)-N-methyl-1-(2,4,6-trimethylphenyl)propan-1-amine

C15H23F2NO — CID 103207219

IUPAC3-(2,2-difluoroethoxy)-N-methyl-1-(2,4,6-trimethylphenyl)propan-1-amine
SMILESCNC(CCOCC(F)F)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H23F2NO/c1-10-7-11(2)15(12(3)8-10)13(18-4)5-6-19-9-14(16)17/h7-8,13-14,18H,5-6,9H2,1-4H3
InChIKeyLGCRGMKQERJAOR-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.54
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-N-methyl-1-(2,4,6-trimethylphenyl)propan-1-amine

3-(2,2-difluoroethoxy)-N-methyl-1-(2,4,6-trimethylphenyl)propan-1-amine (PubChem CID 103207219) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-methyl-1-(2,4,6-trimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-methyl-1-(2,4,6-trimethylphenyl)propan-1-amine
PubChem CID103207219
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC Name3-(2,2-difluoroethoxy)-N-methyl-1-(2,4,6-trimethylphenyl)propan-1-amine
SMILESCNC(CCOCC(F)F)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H23F2NO/c1-10-7-11(2)15(12(3)8-10)13(18-4)5-6-19-9-14(16)17/h7-8,13-14,18H,5-6,9H2,1-4H3
InChIKeyLGCRGMKQERJAOR-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine
CID 103149424
3-(2,2-difluoroethoxy)-N-methyl-1-(5-methylthiophen-3-yl)propan-1-amine
CID 103149318
3-(2,2-difluoroethoxy)-1-(4-methoxy-2-methylphenyl)-N-methylpropan-1-amine
CID 103149230
N,4-dimethyl-1-(2,4,6-trimethylphenyl)pentan-1-amine
CID 43484222
1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
CID 103207512
3-(2,2-difluoroethoxy)-1-(furan-2-yl)-N-methylpropan-1-amine
CID 103149434
3-(2,2-difluoroethoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine
CID 103149216
3-(2,2-difluoroethoxy)-N-methyl-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 103149327
3-(2,2-difluoroethoxy)-1-(3,5-dimethylphenyl)propan-1-ol
CID 103147761
1-(3-cyclobutylphenyl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
CID 103149403
2-(2,2-difluoroethoxy)-N-[(2,4,6-trimethylphenyl)methyl]ethanesulfonamide
CID 138014152
3-(2,2-difluoroethoxy)-N-methyl-1-pyridin-3-ylpropan-1-amine
CID 103149460

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-methyl-1-(2,4,6-trimethylphenyl)propan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-methyl-1-(2,4,6-trimethylphenyl)propan-1-amine (CID 103207219) is 3-(2,2-difluoroethoxy)-N-methyl-1-(2,4,6-trimethylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-methyl-1-(2,4,6-trimethylphenyl)propan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-methyl-1-(2,4,6-trimethylphenyl)propan-1-amine is CNC(CCOCC(F)F)c1c(C)cc(C)cc1C.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-methyl-1-(2,4,6-trimethylphenyl)propan-1-amine?
The InChIKey is LGCRGMKQERJAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-10-7-11(2)15(12(3)8-10)13(18-4)5-6-19-9-14(16)17/h7-8,13-14,18H,5-6,9H2,1-4H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-methyl-1-(2,4,6-trimethylphenyl)propan-1-amine?
3-(2,2-difluoroethoxy)-N-methyl-1-(2,4,6-trimethylphenyl)propan-1-amine has a molecular weight of 271.35 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-methyl-1-(2,4,6-trimethylphenyl)propan-1-amine is sourced from PubChem (CID 103207219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).