1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

C14H19F4NO2 — CID 103475167

IUPAC1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCOc1c(C(N)COCC(F)(F)C(F)F)ccc(C)c1C
InChIInChI=1S/C14H19F4NO2/c1-8-4-5-10(12(20-3)9(8)2)11(19)6-21-7-14(17,18)13(15)16/h4-5,11,13H,6-7,19H2,1-3H3
InChIKeySGFAJGKPLJLANO-UHFFFAOYSA-N
MW309.30 g/mol
LogP3.23
Rot. Bonds7

About 1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (PubChem CID 103475167) has the molecular formula C14H19F4NO2 and a molecular weight of 309.30 g/mol. Its IUPAC name is 1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.

Molecular Properties

Compound Name1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
PubChem CID103475167
Molecular FormulaC14H19F4NO2
Molecular Weight309.30 g/mol
Exact Mass309.14
IUPAC Name1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCOc1c(C(N)COCC(F)(F)C(F)F)ccc(C)c1C
InChIInChI=1S/C14H19F4NO2/c1-8-4-5-10(12(20-3)9(8)2)11(19)6-21-7-14(17,18)13(15)16/h4-5,11,13H,6-7,19H2,1-3H3
InChIKeySGFAJGKPLJLANO-UHFFFAOYSA-N
XLogP3.23
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103473969
3,3,3-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)-2-(trifluoromethyl)propan-1-amine
CID 103435224
3-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-3-methylbutan-1-amine
CID 103435571
1-(2-methoxy-3,4-dimethylphenyl)-2-(4-methylphenyl)ethanamine
CID 103433454
2-(3-chlorophenoxy)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine
CID 103435231
1-(2-methoxy-3,4-dimethylphenyl)-2-propylpentan-1-amine
CID 103435574
[1-(2-methoxy-3,4-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103436191
2-(2,4-difluorophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine
CID 103433543
1-(2,3-dimethylphenyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475704
2-(2-chlorophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine
CID 103433437
[1-(2-methoxyphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine
CID 103477696
2-(4-bromophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanamine
CID 103433633

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (CID 103475167) is 1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.
What is the SMILES notation for 1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The canonical SMILES for 1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is COc1c(C(N)COCC(F)(F)C(F)F)ccc(C)c1C.
What is the InChIKey of 1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The InChIKey is SGFAJGKPLJLANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4NO2/c1-8-4-5-10(12(20-3)9(8)2)11(19)6-21-7-14(17,18)13(15)16/h4-5,11,13H,6-7,19H2,1-3H3.
What are the key properties of 1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine has a molecular weight of 309.30 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is sourced from PubChem (CID 103475167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).