1-(2,3-dimethylphenyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

C15H21F4NO — CID 103475704

IUPAC1-(2,3-dimethylphenyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCCNC(COCC(F)(F)C(F)F)c1cccc(C)c1C
InChIInChI=1S/C15H21F4NO/c1-4-20-13(8-21-9-15(18,19)14(16)17)12-7-5-6-10(2)11(12)3/h5-7,13-14,20H,4,8-9H2,1-3H3
InChIKeyQQEFYASYUIGPBM-UHFFFAOYSA-N
MW307.33 g/mol
LogP3.87
Rot. Bonds8

About 1-(2,3-dimethylphenyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

1-(2,3-dimethylphenyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (PubChem CID 103475704) has the molecular formula C15H21F4NO and a molecular weight of 307.33 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
PubChem CID103475704
Molecular FormulaC15H21F4NO
Molecular Weight307.33 g/mol
Exact Mass307.16
IUPAC Name1-(2,3-dimethylphenyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCCNC(COCC(F)(F)C(F)F)c1cccc(C)c1C
InChIInChI=1S/C15H21F4NO/c1-4-20-13(8-21-9-15(18,19)14(16)17)12-7-5-6-10(2)11(12)3/h5-7,13-14,20H,4,8-9H2,1-3H3
InChIKeyQQEFYASYUIGPBM-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromothiophen-3-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475795
3-[1-(ethylamino)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-4-amine
CID 103475792
1-(3-chlorothiophen-2-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 107360376
N-ethyl-1-(1-methylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475844
1-(2,3-dimethylphenyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 79092443
1-(2,3-dimethylphenyl)-N-ethylhexan-1-amine
CID 115837078
2-(2,2-dimethylpropoxy)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 166717657
2-(2,3-dimethylphenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 63476125
[1-(2-methoxyphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine
CID 103477696
1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 106654846
1-(2,3-dimethylphenyl)-N-ethyloctan-1-amine
CID 115832026
1-(2,3-dimethylphenyl)-N-ethyl-5-methylhexan-1-amine
CID 105028600

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The IUPAC name of 1-(2,3-dimethylphenyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (CID 103475704) is 1-(2,3-dimethylphenyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is CCNC(COCC(F)(F)C(F)F)c1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The InChIKey is QQEFYASYUIGPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F4NO/c1-4-20-13(8-21-9-15(18,19)14(16)17)12-7-5-6-10(2)11(12)3/h5-7,13-14,20H,4,8-9H2,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
1-(2,3-dimethylphenyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine has a molecular weight of 307.33 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is sourced from PubChem (CID 103475704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).