(1S)-1-(2,3-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride

C10H13ClF3N — CID 159492909

IUPAC(1S)-1-(2,3-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride
SMILESCc1cccc([C@H](N)C(F)(F)F)c1C.Cl
InChIInChI=1S/C10H12F3N.ClH/c1-6-4-3-5-8(7(6)2)9(14)10(11,12)13;/h3-5,9H,14H2,1-2H3;1H/t9-;/m0./s1
InChIKeyWFCBTNLUBBILPR-FVGYRXGTSA-N
MW239.67 g/mol
LogP3.29
Rot. Bonds1

About (1S)-1-(2,3-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride

(1S)-1-(2,3-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride (PubChem CID 159492909) has the molecular formula C10H13ClF3N and a molecular weight of 239.67 g/mol. Its IUPAC name is (1S)-1-(2,3-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(2,3-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride
PubChem CID159492909
Molecular FormulaC10H13ClF3N
Molecular Weight239.67 g/mol
Exact Mass239.07
IUPAC Name(1S)-1-(2,3-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride
SMILESCc1cccc([C@H](N)C(F)(F)F)c1C.Cl
InChIInChI=1S/C10H12F3N.ClH/c1-6-4-3-5-8(7(6)2)9(14)10(11,12)13;/h3-5,9H,14H2,1-2H3;1H/t9-;/m0./s1
InChIKeyWFCBTNLUBBILPR-FVGYRXGTSA-N
XLogP3.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.67
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 166403152
1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine
CID 62548875
1-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine
CID 64768356
1-(2,3-difluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 75480584
1-(2,3-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 115850415
methyl (3R)-3-amino-3-(2,3-dimethylphenyl)-2,2-dimethylpropanoate;hydrochloride
CID 171240511
(2,3-dimethylphenyl)-(2-methylphenyl)methanamine
CID 55085139
2-(1-amino-2,2,2-trifluoroethyl)phenol;hydrochloride
CID 118797641
2-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol;hydrochloride
CID 73424692
1-(2,3-dimethylphenyl)-5,5,5-trifluoropentan-1-amine
CID 105024239
1-[3-(difluoromethyl)-2-fluorophenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 169321688
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CID 175668922

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,3-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride?
The IUPAC name of (1S)-1-(2,3-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride (CID 159492909) is (1S)-1-(2,3-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-(2,3-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride?
The canonical SMILES for (1S)-1-(2,3-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride is Cc1cccc([C@H](N)C(F)(F)F)c1C.Cl.
What is the InChIKey of (1S)-1-(2,3-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride?
The InChIKey is WFCBTNLUBBILPR-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H12F3N.ClH/c1-6-4-3-5-8(7(6)2)9(14)10(11,12)13;/h3-5,9H,14H2,1-2H3;1H/t9-;/m0./s1.
What are the key properties of (1S)-1-(2,3-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride?
(1S)-1-(2,3-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride has a molecular weight of 239.67 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,3-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride is sourced from PubChem (CID 159492909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).