(2R)-N-propyl-5-(trifluoromethylsulfonylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

C15H21ClF3NO2S — CID 70691860

IUPAC(2R)-N-propyl-5-(trifluoromethylsulfonylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCCCN[C@@H]1CCc2c(cccc2CS(=O)(=O)C(F)(F)F)C1.Cl
InChIInChI=1S/C15H20F3NO2S.ClH/c1-2-8-19-13-6-7-14-11(9-13)4-3-5-12(14)10-22(20,21)15(16,17)18;/h3-5,13,19H,2,6-10H2,1H3;1H/t13-;/m1./s1
InChIKeyXTLKJHSMZFEIAV-BTQNPOSSSA-N
MW371.85 g/mol
LogP3.40
Rot. Bonds5

About (2R)-N-propyl-5-(trifluoromethylsulfonylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

(2R)-N-propyl-5-(trifluoromethylsulfonylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (PubChem CID 70691860) has the molecular formula C15H21ClF3NO2S and a molecular weight of 371.85 g/mol. Its IUPAC name is (2R)-N-propyl-5-(trifluoromethylsulfonylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.

Molecular Properties

Compound Name(2R)-N-propyl-5-(trifluoromethylsulfonylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
PubChem CID70691860
Molecular FormulaC15H21ClF3NO2S
Molecular Weight371.85 g/mol
Exact Mass371.09
IUPAC Name(2R)-N-propyl-5-(trifluoromethylsulfonylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCCCN[C@@H]1CCc2c(cccc2CS(=O)(=O)C(F)(F)F)C1.Cl
InChIInChI=1S/C15H20F3NO2S.ClH/c1-2-8-19-13-6-7-14-11(9-13)4-3-5-12(14)10-22(20,21)15(16,17)18;/h3-5,13,19H,2,6-10H2,1H3;1H/t13-;/m1./s1
InChIKeyXTLKJHSMZFEIAV-BTQNPOSSSA-N
XLogP3.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-propyl-5-(trifluoromethylsulfonylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 70681317
(2S)-N-propyl-8-(trifluoromethylsulfonylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 70683413
(2R)-N-propyl-8-(trifluoromethylsulfonylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 70691865
N-[3-[8-[(3,4-difluorophenyl)methyl]-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide
CID 59547738
N-(2-methylsulfonylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 47540985
Ethyl(1-(4-fluorophenyl)-3-methanesulfonylpropan-2-yl)amine hydrochloride
CID 155821416
(2S)-2-fluoro-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propane-1-sulfonic acid
CID 11514758
N-ethyl-N-[methylsulfonyl(piperidin-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydrochloride
CID 18353223
(2R)-2-fluoro-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propane-1-sulfonic acid
CID 24939687
2-Fluoro-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propane-1-sulfinic acid
CID 58691886
2,2-Difluoro-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propane-1-sulfinic acid
CID 58691907
2,2-Difluoro-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propane-1-sulfonic acid
CID 58691960

Frequently Asked Questions

What is the IUPAC name of (2R)-N-propyl-5-(trifluoromethylsulfonylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The IUPAC name of (2R)-N-propyl-5-(trifluoromethylsulfonylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (CID 70691860) is (2R)-N-propyl-5-(trifluoromethylsulfonylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.
What is the SMILES notation for (2R)-N-propyl-5-(trifluoromethylsulfonylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The canonical SMILES for (2R)-N-propyl-5-(trifluoromethylsulfonylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is CCCN[C@@H]1CCc2c(cccc2CS(=O)(=O)C(F)(F)F)C1.Cl.
What is the InChIKey of (2R)-N-propyl-5-(trifluoromethylsulfonylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The InChIKey is XTLKJHSMZFEIAV-BTQNPOSSSA-N. The full InChI is InChI=1S/C15H20F3NO2S.ClH/c1-2-8-19-13-6-7-14-11(9-13)4-3-5-12(14)10-22(20,21)15(16,17)18;/h3-5,13,19H,2,6-10H2,1H3;1H/t13-;/m1./s1.
What are the key properties of (2R)-N-propyl-5-(trifluoromethylsulfonylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
(2R)-N-propyl-5-(trifluoromethylsulfonylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride has a molecular weight of 371.85 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-propyl-5-(trifluoromethylsulfonylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is sourced from PubChem (CID 70691860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).