(1S)-2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride

C11H15ClF3NO — CID 171250019

IUPAC(1S)-2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride
SMILESCC(C)Oc1ccc([C@H](N)C(F)(F)F)cc1.Cl
InChIInChI=1S/C11H14F3NO.ClH/c1-7(2)16-9-5-3-8(4-6-9)10(15)11(12,13)14;/h3-7,10H,15H2,1-2H3;1H/t10-;/m0./s1
InChIKeyFGSONBIFMPMBLW-PPHPATTJSA-N
MW269.69 g/mol
LogP3.46
Rot. Bonds3

About (1S)-2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride

(1S)-2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride (PubChem CID 171250019) has the molecular formula C11H15ClF3NO and a molecular weight of 269.69 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride
PubChem CID171250019
Molecular FormulaC11H15ClF3NO
Molecular Weight269.69 g/mol
Exact Mass269.08
IUPAC Name(1S)-2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride
SMILESCC(C)Oc1ccc([C@H](N)C(F)(F)F)cc1.Cl
InChIInChI=1S/C11H14F3NO.ClH/c1-7(2)16-9-5-3-8(4-6-9)10(15)11(12,13)14;/h3-7,10H,15H2,1-2H3;1H/t10-;/m0./s1
InChIKeyFGSONBIFMPMBLW-PPHPATTJSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2,2,3,3,3-pentafluoro-1-(4-propan-2-yloxyphenyl)propan-1-amine;hydrochloride
CID 171311850
(1R)-2,2-dimethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine;hydrochloride
CID 171250029
1-amino-2-methyl-1-(4-propan-2-yloxyphenyl)propan-2-ol
CID 116942097
(1R)-2,2,2-trifluoro-1-(4-trimethylsilyloxyphenyl)ethanamine;hydrochloride
CID 171242111
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
(1S)-2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 66511880
(1R)-2,2-difluoro-1-(4-propan-2-yloxyphenyl)ethanamine
CID 28973362
[4-[(1R)-1-amino-2,2,2-trifluoroethyl]phenyl] acetate;hydrochloride
CID 171242944
(1R)-4,4,4-trifluoro-1-(4-propan-2-yloxyphenyl)butan-1-amine
CID 171210773
N'-methyl-1-(4-propan-2-yloxyphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60891559
1-(4-propan-2-yloxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 16785577
bromo-(4-propan-2-yloxyphenyl)methanamine
CID 116947610

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride?
The IUPAC name of (1S)-2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride (CID 171250019) is (1S)-2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride is CC(C)Oc1ccc([C@H](N)C(F)(F)F)cc1.Cl.
What is the InChIKey of (1S)-2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride?
The InChIKey is FGSONBIFMPMBLW-PPHPATTJSA-N. The full InChI is InChI=1S/C11H14F3NO.ClH/c1-7(2)16-9-5-3-8(4-6-9)10(15)11(12,13)14;/h3-7,10H,15H2,1-2H3;1H/t10-;/m0./s1.
What are the key properties of (1S)-2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride?
(1S)-2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride has a molecular weight of 269.69 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 171250019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).