(1S)-2-cyclopropyl-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride

C13H17ClF3NO — CID 171227730

IUPAC(1S)-2-cyclopropyl-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride
SMILESCOc1ccc([C@@H](N)CC2CC2)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C13H16F3NO.ClH/c1-18-9-4-5-10(11(7-9)13(14,15)16)12(17)6-8-2-3-8;/h4-5,7-8,12H,2-3,6,17H2,1H3;1H/t12-;/m0./s1
InChIKeyRSNOAAMYYSLLFE-YDALLXLXSA-N
MW295.73 g/mol
LogP3.94
Rot. Bonds4

About (1S)-2-cyclopropyl-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride

(1S)-2-cyclopropyl-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride (PubChem CID 171227730) has the molecular formula C13H17ClF3NO and a molecular weight of 295.73 g/mol. Its IUPAC name is (1S)-2-cyclopropyl-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-2-cyclopropyl-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride
PubChem CID171227730
Molecular FormulaC13H17ClF3NO
Molecular Weight295.73 g/mol
Exact Mass295.10
IUPAC Name(1S)-2-cyclopropyl-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride
SMILESCOc1ccc([C@@H](N)CC2CC2)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C13H16F3NO.ClH/c1-18-9-4-5-10(11(7-9)13(14,15)16)12(17)6-8-2-3-8;/h4-5,7-8,12H,2-3,6,17H2,1H3;1H/t12-;/m0./s1
InChIKeyRSNOAAMYYSLLFE-YDALLXLXSA-N
XLogP3.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethane-1,2-diamine;hydrochloride
CID 171227707
(2R)-2-amino-2-[4-methoxy-2-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171227759
(1S)-3-fluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171227736
(1R)-2-cyclopropyl-1-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171216573
3-amino-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 170875043
(R)-[4-methoxy-2-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine
CID 171249121
(1R)-2-cyclopropyl-1-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanamine
CID 171216572
(1S)-1-[4-methoxy-2-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 171227710
1-(2-chloro-4-methoxyphenyl)-2-cyclobutylethanamine
CID 103162998
(3S)-3-amino-2,2-difluoro-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 171249128
(1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride
CID 171200883
ethyl (3R)-3-amino-3-[4-methoxy-2-(trifluoromethyl)phenyl]propanoate
CID 171208180

Frequently Asked Questions

What is the IUPAC name of (1S)-2-cyclopropyl-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
The IUPAC name of (1S)-2-cyclopropyl-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride (CID 171227730) is (1S)-2-cyclopropyl-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride.
What is the SMILES notation for (1S)-2-cyclopropyl-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
The canonical SMILES for (1S)-2-cyclopropyl-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride is COc1ccc([C@@H](N)CC2CC2)c(C(F)(F)F)c1.Cl.
What is the InChIKey of (1S)-2-cyclopropyl-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
The InChIKey is RSNOAAMYYSLLFE-YDALLXLXSA-N. The full InChI is InChI=1S/C13H16F3NO.ClH/c1-18-9-4-5-10(11(7-9)13(14,15)16)12(17)6-8-2-3-8;/h4-5,7-8,12H,2-3,6,17H2,1H3;1H/t12-;/m0./s1.
What are the key properties of (1S)-2-cyclopropyl-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
(1S)-2-cyclopropyl-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride has a molecular weight of 295.73 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-cyclopropyl-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 171227730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).