1-[4-(trifluoromethyl)phenoxy]propan-2-amine;hydrochloride

C10H13ClF3NO — CID 13209732

IUPAC1-[4-(trifluoromethyl)phenoxy]propan-2-amine;hydrochloride
SMILESCC(N)COc1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C10H12F3NO.ClH/c1-7(14)6-15-9-4-2-8(3-5-9)10(11,12)13;/h2-5,7H,6,14H2,1H3;1H
InChIKeyBSKUDRLILIYMBP-UHFFFAOYSA-N
MW255.67 g/mol
LogP2.85
Rot. Bonds3

About 1-[4-(trifluoromethyl)phenoxy]propan-2-amine;hydrochloride

1-[4-(trifluoromethyl)phenoxy]propan-2-amine;hydrochloride (PubChem CID 13209732) has the molecular formula C10H13ClF3NO and a molecular weight of 255.67 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)phenoxy]propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)phenoxy]propan-2-amine;hydrochloride
PubChem CID13209732
Molecular FormulaC10H13ClF3NO
Molecular Weight255.67 g/mol
Exact Mass255.06
IUPAC Name1-[4-(trifluoromethyl)phenoxy]propan-2-amine;hydrochloride
SMILESCC(N)COc1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C10H12F3NO.ClH/c1-7(14)6-15-9-4-2-8(3-5-9)10(11,12)13;/h2-5,7H,6,14H2,1H3;1H
InChIKeyBSKUDRLILIYMBP-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.67
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)phenoxy]propan-2-amine;hydrochloride?
The IUPAC name of 1-[4-(trifluoromethyl)phenoxy]propan-2-amine;hydrochloride (CID 13209732) is 1-[4-(trifluoromethyl)phenoxy]propan-2-amine;hydrochloride.
What is the SMILES notation for 1-[4-(trifluoromethyl)phenoxy]propan-2-amine;hydrochloride?
The canonical SMILES for 1-[4-(trifluoromethyl)phenoxy]propan-2-amine;hydrochloride is CC(N)COc1ccc(C(F)(F)F)cc1.Cl.
What is the InChIKey of 1-[4-(trifluoromethyl)phenoxy]propan-2-amine;hydrochloride?
The InChIKey is BSKUDRLILIYMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO.ClH/c1-7(14)6-15-9-4-2-8(3-5-9)10(11,12)13;/h2-5,7H,6,14H2,1H3;1H.
What are the key properties of 1-[4-(trifluoromethyl)phenoxy]propan-2-amine;hydrochloride?
1-[4-(trifluoromethyl)phenoxy]propan-2-amine;hydrochloride has a molecular weight of 255.67 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)phenoxy]propan-2-amine;hydrochloride is sourced from PubChem (CID 13209732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).