1-(2,2,3,3-tetrafluoropropoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine

C15H21F4NO — CID 103474840

IUPAC1-(2,2,3,3-tetrafluoropropoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine
SMILESCc1cc(C)c(CC(N)COCC(F)(F)C(F)F)c(C)c1
InChIInChI=1S/C15H21F4NO/c1-9-4-10(2)13(11(3)5-9)6-12(20)7-21-8-15(18,19)14(16)17/h4-5,12,14H,6-8,20H2,1-3H3
InChIKeyLWCGKGRSDOKZGE-UHFFFAOYSA-N
MW307.33 g/mol
LogP3.40
Rot. Bonds7

About 1-(2,2,3,3-tetrafluoropropoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine

1-(2,2,3,3-tetrafluoropropoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine (PubChem CID 103474840) has the molecular formula C15H21F4NO and a molecular weight of 307.33 g/mol. Its IUPAC name is 1-(2,2,3,3-tetrafluoropropoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,2,3,3-tetrafluoropropoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine
PubChem CID103474840
Molecular FormulaC15H21F4NO
Molecular Weight307.33 g/mol
Exact Mass307.16
IUPAC Name1-(2,2,3,3-tetrafluoropropoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine
SMILESCc1cc(C)c(CC(N)COCC(F)(F)C(F)F)c(C)c1
InChIInChI=1S/C15H21F4NO/c1-9-4-10(2)13(11(3)5-9)6-12(20)7-21-8-15(18,19)14(16)17/h4-5,12,14H,6-8,20H2,1-3H3
InChIKeyLWCGKGRSDOKZGE-UHFFFAOYSA-N
XLogP3.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.40
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-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 103214849
1-(2-ethyl-5-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103474996
4-methyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine
CID 103475213
1-(2,2,3,3-tetrafluoropropoxy)heptan-2-amine
CID 103475085
1-(5-chloro-2-methoxyphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475184
1-(1,3-diethylpyrazol-5-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475043
1-(2-bromo-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475087
1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 106881222
1-propoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475048
1-(2,5-dimethylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103474191
1-(3,5-dimethylphenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475554
4,4,4-trifluoro-3-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 103311794

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetrafluoropropoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine?
The IUPAC name of 1-(2,2,3,3-tetrafluoropropoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine (CID 103474840) is 1-(2,2,3,3-tetrafluoropropoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2,2,3,3-tetrafluoropropoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine?
The canonical SMILES for 1-(2,2,3,3-tetrafluoropropoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine is Cc1cc(C)c(CC(N)COCC(F)(F)C(F)F)c(C)c1.
What is the InChIKey of 1-(2,2,3,3-tetrafluoropropoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine?
The InChIKey is LWCGKGRSDOKZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F4NO/c1-9-4-10(2)13(11(3)5-9)6-12(20)7-21-8-15(18,19)14(16)17/h4-5,12,14H,6-8,20H2,1-3H3.
What are the key properties of 1-(2,2,3,3-tetrafluoropropoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine?
1-(2,2,3,3-tetrafluoropropoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine has a molecular weight of 307.33 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3-tetrafluoropropoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine is sourced from PubChem (CID 103474840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).