1-[3,5-dimethyl-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine

C14H20F3NO — CID 64565529

IUPAC1-[3,5-dimethyl-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
SMILESCc1cc(CC(C)N)cc(C)c1OCCC(F)(F)F
InChIInChI=1S/C14H20F3NO/c1-9-6-12(8-11(3)18)7-10(2)13(9)19-5-4-14(15,16)17/h6-7,11H,4-5,8,18H2,1-3H3
InChIKeyIKKVILMYGRJSMO-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.52
Rot. Bonds5

About 1-[3,5-dimethyl-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine

1-[3,5-dimethyl-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine (PubChem CID 64565529) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-[3,5-dimethyl-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3,5-dimethyl-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
PubChem CID64565529
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name1-[3,5-dimethyl-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
SMILESCc1cc(CC(C)N)cc(C)c1OCCC(F)(F)F
InChIInChI=1S/C14H20F3NO/c1-9-6-12(8-11(3)18)7-10(2)13(9)19-5-4-14(15,16)17/h6-7,11H,4-5,8,18H2,1-3H3
InChIKeyIKKVILMYGRJSMO-UHFFFAOYSA-N
XLogP3.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3,5-dimethyl-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine (CID 64565529) is 1-[3,5-dimethyl-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3,5-dimethyl-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3,5-dimethyl-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine is Cc1cc(CC(C)N)cc(C)c1OCCC(F)(F)F.
What is the InChIKey of 1-[3,5-dimethyl-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine?
The InChIKey is IKKVILMYGRJSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-9-6-12(8-11(3)18)7-10(2)13(9)19-5-4-14(15,16)17/h6-7,11H,4-5,8,18H2,1-3H3.
What are the key properties of 1-[3,5-dimethyl-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine?
1-[3,5-dimethyl-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine has a molecular weight of 275.31 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine is sourced from PubChem (CID 64565529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).