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

C10H13ClF3NO — CID 155903186

IUPAC(1S)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
SMILESCOC[C@@H](N)c1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C10H12F3NO.ClH/c1-15-6-9(14)7-2-4-8(5-3-7)10(11,12)13;/h2-5,9H,6,14H2,1H3;1H/t9-;/m1./s1
InChIKeyKHEDNLBBATYHAD-SBSPUUFOSA-N
MW255.67 g/mol
LogP2.77
Rot. Bonds3

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

(1S)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanamine;hydrochloride (PubChem CID 155903186) has the molecular formula C10H13ClF3NO and a molecular weight of 255.67 g/mol. Its IUPAC name is (1S)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
PubChem CID155903186
Molecular FormulaC10H13ClF3NO
Molecular Weight255.67 g/mol
Exact Mass255.06
IUPAC Name(1S)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
SMILESCOC[C@@H](N)c1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C10H12F3NO.ClH/c1-15-6-9(14)7-2-4-8(5-3-7)10(11,12)13;/h2-5,9H,6,14H2,1H3;1H/t9-;/m1./s1
InChIKeyKHEDNLBBATYHAD-SBSPUUFOSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methoxy-3-phenylpropan-2-amine
CID 5106602
2,2-Dimethoxy-1-phenylethan-1-amine
CID 21714027
(1R)-2-Methoxy-1-phenylethan-1-amine
CID 11019045
2-Amino-2-(4-tert-butylphenyl)ethan-1-ol
CID 14853163
2-Amino-2-(4-fluorophenyl)ethanol
CID 14853201
2-Methoxy-1-phenylethan-1-amine
CID 11105539
beta-Amino-2,4-difluoro-benzeneethanol
CID 14853269
(4-Fluorophenyl)(oxolan-2-yl)methanamine
CID 24689362
1-Methoxy-2-phenylpropan-2-amine
CID 62534507
1-(4-Methoxymethylphenyl)ethylamine
CID 591393
2-azaniumylethoxy-[(1R)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentyl]azanium
CID 78225972
(2S)-2-Amino-2-(4-tert-butylphenyl)ethan-1-ol
CID 16218166

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
The IUPAC name of (1S)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanamine;hydrochloride (CID 155903186) is (1S)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanamine;hydrochloride.
What is the SMILES notation for (1S)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
The canonical SMILES for (1S)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanamine;hydrochloride is COC[C@@H](N)c1ccc(C(F)(F)F)cc1.Cl.
What is the InChIKey of (1S)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
The InChIKey is KHEDNLBBATYHAD-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H12F3NO.ClH/c1-15-6-9(14)7-2-4-8(5-3-7)10(11,12)13;/h2-5,9H,6,14H2,1H3;1H/t9-;/m1./s1.
What are the key properties of (1S)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
(1S)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanamine;hydrochloride has a molecular weight of 255.67 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 155903186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).