2,2,3,3-tetrafluoro-1-(2-methoxy-5-methylphenyl)propan-1-amine

C11H13F4NO — CID 79660894

IUPAC2,2,3,3-tetrafluoro-1-(2-methoxy-5-methylphenyl)propan-1-amine
SMILESCOc1ccc(C)cc1C(N)C(F)(F)C(F)F
InChIInChI=1S/C11H13F4NO/c1-6-3-4-8(17-2)7(5-6)9(16)11(14,15)10(12)13/h3-5,9-10H,16H2,1-2H3
InChIKeyUTAJKXICHOUXKM-UHFFFAOYSA-N
MW251.22 g/mol
LogP2.90
Rot. Bonds4

About 2,2,3,3-tetrafluoro-1-(2-methoxy-5-methylphenyl)propan-1-amine

2,2,3,3-tetrafluoro-1-(2-methoxy-5-methylphenyl)propan-1-amine (PubChem CID 79660894) has the molecular formula C11H13F4NO and a molecular weight of 251.22 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-1-(2-methoxy-5-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-1-(2-methoxy-5-methylphenyl)propan-1-amine
PubChem CID79660894
Molecular FormulaC11H13F4NO
Molecular Weight251.22 g/mol
Exact Mass251.09
IUPAC Name2,2,3,3-tetrafluoro-1-(2-methoxy-5-methylphenyl)propan-1-amine
SMILESCOc1ccc(C)cc1C(N)C(F)(F)C(F)F
InChIInChI=1S/C11H13F4NO/c1-6-3-4-8(17-2)7(5-6)9(16)11(14,15)10(12)13/h3-5,9-10H,16H2,1-2H3
InChIKeyUTAJKXICHOUXKM-UHFFFAOYSA-N
XLogP2.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 52.90
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-(5-bromo-2-methoxy-4-methylphenyl)-2,2,3,3-tetrafluoropropan-1-amine
CID 79660994
2,2,3,3-tetrafluoro-1-(4-methoxy-2-methylphenyl)propan-1-amine
CID 79660881
2-(1-bromo-2,2-difluoroethyl)-1-methoxy-4-methylbenzene
CID 103514543
1-(2-methoxy-5-methylphenyl)-2-methylpropane-1,3-diamine
CID 116933048
1-(2-methoxy-5-methylphenyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60891376
(1R)-2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 28966440
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
2-cyclopropyl-1-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83155175
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 66511237
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 56971852
(2,6-dimethoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 43626072

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-1-(2-methoxy-5-methylphenyl)propan-1-amine?
The IUPAC name of 2,2,3,3-tetrafluoro-1-(2-methoxy-5-methylphenyl)propan-1-amine (CID 79660894) is 2,2,3,3-tetrafluoro-1-(2-methoxy-5-methylphenyl)propan-1-amine.
What is the SMILES notation for 2,2,3,3-tetrafluoro-1-(2-methoxy-5-methylphenyl)propan-1-amine?
The canonical SMILES for 2,2,3,3-tetrafluoro-1-(2-methoxy-5-methylphenyl)propan-1-amine is COc1ccc(C)cc1C(N)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-1-(2-methoxy-5-methylphenyl)propan-1-amine?
The InChIKey is UTAJKXICHOUXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4NO/c1-6-3-4-8(17-2)7(5-6)9(16)11(14,15)10(12)13/h3-5,9-10H,16H2,1-2H3.
What are the key properties of 2,2,3,3-tetrafluoro-1-(2-methoxy-5-methylphenyl)propan-1-amine?
2,2,3,3-tetrafluoro-1-(2-methoxy-5-methylphenyl)propan-1-amine has a molecular weight of 251.22 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-1-(2-methoxy-5-methylphenyl)propan-1-amine is sourced from PubChem (CID 79660894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).