2,2,3,3-tetrafluoro-1-(4-methoxy-2-methylphenyl)propan-1-amine

C11H13F4NO — CID 79660881

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

About 2,2,3,3-tetrafluoro-1-(4-methoxy-2-methylphenyl)propan-1-amine

2,2,3,3-tetrafluoro-1-(4-methoxy-2-methylphenyl)propan-1-amine (PubChem CID 79660881) has the molecular formula C11H13F4NO and a molecular weight of 251.22 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-1-(4-methoxy-2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-1-(4-methoxy-2-methylphenyl)propan-1-amine
PubChem CID79660881
Molecular FormulaC11H13F4NO
Molecular Weight251.22 g/mol
Exact Mass251.09
IUPAC Name2,2,3,3-tetrafluoro-1-(4-methoxy-2-methylphenyl)propan-1-amine
SMILESCOc1ccc(C(N)C(F)(F)C(F)F)c(C)c1
InChIInChI=1S/C11H13F4NO/c1-6-5-7(17-2)3-4-8(6)9(16)11(14,15)10(12)13/h3-5,9-10H,16H2,1-2H3
InChIKeyJVHAJOVAGCXDLH-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

2-methoxy-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine
CID 116757522
(S)-(4-methoxy-2-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171244237
1-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-4-methoxy-2-methylbenzene
CID 103310697
methyl (2R)-2-amino-2-(4-methoxy-2-methylphenyl)acetate;hydrochloride
CID 171233443
1-(5-bromo-2-methoxy-4-methylphenyl)-2,2,3,3-tetrafluoropropan-1-amine
CID 79660994
(1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 171233415
2,2,2-trifluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561288
2-fluoro-2-(4-methoxy-2-methylphenyl)ethanol
CID 105426307
(1R)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 168719792
(2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 43198782
(1R,2S)-1-amino-1-(4-methoxy-2-methylphenyl)butan-2-ol
CID 171265166
3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 61101293

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-1-(4-methoxy-2-methylphenyl)propan-1-amine?
The IUPAC name of 2,2,3,3-tetrafluoro-1-(4-methoxy-2-methylphenyl)propan-1-amine (CID 79660881) is 2,2,3,3-tetrafluoro-1-(4-methoxy-2-methylphenyl)propan-1-amine.
What is the SMILES notation for 2,2,3,3-tetrafluoro-1-(4-methoxy-2-methylphenyl)propan-1-amine?
The canonical SMILES for 2,2,3,3-tetrafluoro-1-(4-methoxy-2-methylphenyl)propan-1-amine is COc1ccc(C(N)C(F)(F)C(F)F)c(C)c1.
What is the InChIKey of 2,2,3,3-tetrafluoro-1-(4-methoxy-2-methylphenyl)propan-1-amine?
The InChIKey is JVHAJOVAGCXDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4NO/c1-6-5-7(17-2)3-4-8(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-(4-methoxy-2-methylphenyl)propan-1-amine?
2,2,3,3-tetrafluoro-1-(4-methoxy-2-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-(4-methoxy-2-methylphenyl)propan-1-amine is sourced from PubChem (CID 79660881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).