(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride

C9H11ClF3NO — CID 86346348

IUPAC(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
SMILESC[C@H](N)c1ccc(OC(F)(F)F)cc1.Cl
InChIInChI=1S/C9H10F3NO.ClH/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12;/h2-6H,13H2,1H3;1H/t6-;/m0./s1
InChIKeyCRAQSXJYHZMDFP-RGMNGODLSA-N
MW241.64 g/mol
LogP3.03
Rot. Bonds2

About (1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride

(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride (PubChem CID 86346348) has the molecular formula C9H11ClF3NO and a molecular weight of 241.64 g/mol. Its IUPAC name is (1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
PubChem CID86346348
Molecular FormulaC9H11ClF3NO
Molecular Weight241.64 g/mol
Exact Mass241.05
IUPAC Name(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
SMILESC[C@H](N)c1ccc(OC(F)(F)F)cc1.Cl
InChIInChI=1S/C9H10F3NO.ClH/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12;/h2-6H,13H2,1H3;1H/t6-;/m0./s1
InChIKeyCRAQSXJYHZMDFP-RGMNGODLSA-N
XLogP3.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.64
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(4-propan-2-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171239714
1-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]ethanamine;hydrochloride
CID 168665296
(1R)-1-[4-(trifluoromethoxy)phenyl]ethanethiol
CID 28974994
(1S)-2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 66511880
(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171245927
(2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 86712019
2-methyl-1-[4-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 105005386
(R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171240272
(1S)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride
CID 171227274
3-amino-1-[4-(trifluoromethoxy)phenyl]butan-1-ol
CID 81463053
methyl 2-amino-2-[4-(trifluoromethoxy)phenyl]acetate;hydrochloride
CID 68701714
1-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethanamine
CID 66274601

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride?
The IUPAC name of (1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride (CID 86346348) is (1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride?
The canonical SMILES for (1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride is C[C@H](N)c1ccc(OC(F)(F)F)cc1.Cl.
What is the InChIKey of (1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride?
The InChIKey is CRAQSXJYHZMDFP-RGMNGODLSA-N. The full InChI is InChI=1S/C9H10F3NO.ClH/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12;/h2-6H,13H2,1H3;1H/t6-;/m0./s1.
What are the key properties of (1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride?
(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride has a molecular weight of 241.64 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 86346348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).