2-[4-(trifluoromethoxy)phenyl]propan-2-amine;hydrochloride

C10H13ClF3NO — CID 75494282

IUPAC2-[4-(trifluoromethoxy)phenyl]propan-2-amine;hydrochloride
SMILESCC(C)(N)c1ccc(OC(F)(F)F)cc1.Cl
InChIInChI=1S/C10H12F3NO.ClH/c1-9(2,14)7-3-5-8(6-4-7)15-10(11,12)13;/h3-6H,14H2,1-2H3;1H
InChIKeyHFTXCXIQRNDZAQ-UHFFFAOYSA-N
MW255.67 g/mol
LogP3.20
Rot. Bonds2

About 2-[4-(trifluoromethoxy)phenyl]propan-2-amine;hydrochloride

2-[4-(trifluoromethoxy)phenyl]propan-2-amine;hydrochloride (PubChem CID 75494282) has the molecular formula C10H13ClF3NO and a molecular weight of 255.67 g/mol. Its IUPAC name is 2-[4-(trifluoromethoxy)phenyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-[4-(trifluoromethoxy)phenyl]propan-2-amine;hydrochloride
PubChem CID75494282
Molecular FormulaC10H13ClF3NO
Molecular Weight255.67 g/mol
Exact Mass255.06
IUPAC Name2-[4-(trifluoromethoxy)phenyl]propan-2-amine;hydrochloride
SMILESCC(C)(N)c1ccc(OC(F)(F)F)cc1.Cl
InChIInChI=1S/C10H12F3NO.ClH/c1-9(2,14)7-3-5-8(6-4-7)15-10(11,12)13;/h3-6H,14H2,1-2H3;1H
InChIKeyHFTXCXIQRNDZAQ-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.67
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethoxy)phenyl]propan-2-amine;hydrochloride?
The IUPAC name of 2-[4-(trifluoromethoxy)phenyl]propan-2-amine;hydrochloride (CID 75494282) is 2-[4-(trifluoromethoxy)phenyl]propan-2-amine;hydrochloride.
What is the SMILES notation for 2-[4-(trifluoromethoxy)phenyl]propan-2-amine;hydrochloride?
The canonical SMILES for 2-[4-(trifluoromethoxy)phenyl]propan-2-amine;hydrochloride is CC(C)(N)c1ccc(OC(F)(F)F)cc1.Cl.
What is the InChIKey of 2-[4-(trifluoromethoxy)phenyl]propan-2-amine;hydrochloride?
The InChIKey is HFTXCXIQRNDZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO.ClH/c1-9(2,14)7-3-5-8(6-4-7)15-10(11,12)13;/h3-6H,14H2,1-2H3;1H.
What are the key properties of 2-[4-(trifluoromethoxy)phenyl]propan-2-amine;hydrochloride?
2-[4-(trifluoromethoxy)phenyl]propan-2-amine;hydrochloride has a molecular weight of 255.67 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethoxy)phenyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 75494282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).