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

C11H15ClF3NO — CID 167530945

IUPAC1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
SMILESCCC(N)c1ccc(C(F)(F)F)cc1OC.Cl
InChIInChI=1S/C11H14F3NO.ClH/c1-3-9(15)8-5-4-7(11(12,13)14)6-10(8)16-2;/h4-6,9H,3,15H2,1-2H3;1H
InChIKeyPWNNAUPZNNAEAD-UHFFFAOYSA-N
MW269.69 g/mol
LogP3.55
Rot. Bonds3

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

1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride (PubChem CID 167530945) has the molecular formula C11H15ClF3NO and a molecular weight of 269.69 g/mol. Its IUPAC name is 1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
PubChem CID167530945
Molecular FormulaC11H15ClF3NO
Molecular Weight269.69 g/mol
Exact Mass269.08
IUPAC Name1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
SMILESCCC(N)c1ccc(C(F)(F)F)cc1OC.Cl
InChIInChI=1S/C11H14F3NO.ClH/c1-3-9(15)8-5-4-7(11(12,13)14)6-10(8)16-2;/h4-6,9H,3,15H2,1-2H3;1H
InChIKeyPWNNAUPZNNAEAD-UHFFFAOYSA-N
XLogP3.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-methoxy-4-(trifluoromethyl)phenyl]butan-1-amine
CID 96710105
1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 167530944
(1R,2S)-1-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methylpentan-2-ol;hydrochloride
CID 171266308
(3R)-3-amino-3-[2-methoxy-4-(trifluoromethyl)phenyl]propanenitrile
CID 171260709
2-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 155973060
(1S,2R)-1-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171271952
(1S)-1-(4-fluoro-2-methoxyphenyl)propan-1-amine
CID 55253804
(3S)-3-amino-3-[2-methoxy-4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol;hydrochloride
CID 171245204
2-[2-[2-methoxy-4-(trifluoromethyl)phenyl]butyl]propane-1,3-diamine
CID 83921384
4-[(1S)-1-aminopropyl]-3-methoxyaniline
CID 130731352
(3R)-3-amino-3-[2-methoxy-4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol
CID 171251936
(R)-diethoxyphosphoryl-[2-methoxy-4-(trifluoromethyl)phenyl]methanamine
CID 171192431

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride?
The IUPAC name of 1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride (CID 167530945) is 1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride.
What is the SMILES notation for 1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride?
The canonical SMILES for 1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride is CCC(N)c1ccc(C(F)(F)F)cc1OC.Cl.
What is the InChIKey of 1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride?
The InChIKey is PWNNAUPZNNAEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO.ClH/c1-3-9(15)8-5-4-7(11(12,13)14)6-10(8)16-2;/h4-6,9H,3,15H2,1-2H3;1H.
What are the key properties of 1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride?
1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride has a molecular weight of 269.69 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 167530945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).