1-benzyl-7-(2-methylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

C20H26ClNO2S — CID 159439876

IUPAC1-benzyl-7-(2-methylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCS(=O)(=O)CCc1ccc2c(c1)C(Cc1ccccc1)C(N)CC2.Cl
InChIInChI=1S/C20H25NO2S.ClH/c1-24(22,23)12-11-16-7-8-17-9-10-20(21)19(18(17)13-16)14-15-5-3-2-4-6-15;/h2-8,13,19-20H,9-12,14,21H2,1H3;1H
InChIKeyDLXSEPCNOUUUON-UHFFFAOYSA-N
MW379.95 g/mol
LogP3.30
Rot. Bonds5

About 1-benzyl-7-(2-methylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

1-benzyl-7-(2-methylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (PubChem CID 159439876) has the molecular formula C20H26ClNO2S and a molecular weight of 379.95 g/mol. Its IUPAC name is 1-benzyl-7-(2-methylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.

Molecular Properties

Compound Name1-benzyl-7-(2-methylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
PubChem CID159439876
Molecular FormulaC20H26ClNO2S
Molecular Weight379.95 g/mol
Exact Mass379.14
IUPAC Name1-benzyl-7-(2-methylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCS(=O)(=O)CCc1ccc2c(c1)C(Cc1ccccc1)C(N)CC2.Cl
InChIInChI=1S/C20H25NO2S.ClH/c1-24(22,23)12-11-16-7-8-17-9-10-20(21)19(18(17)13-16)14-15-5-3-2-4-6-15;/h2-8,13,19-20H,9-12,14,21H2,1H3;1H
InChIKeyDLXSEPCNOUUUON-UHFFFAOYSA-N
XLogP3.30
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.95
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(8S)-7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide
CID 118987383
1-benzyl-7-[2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 158340408
(1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 118023139
1-benzyl-N-propan-2-yl-7-(4-propylsulfonylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 159135670
N-[[8-benzyl-7-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide;hydrochloride
CID 66745253
1-benzyl-7-(3-cyclopropylsulfonylpropoxy)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 161388678
3-[[1-benzyl-7-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]oxetane-3-carbonitrile
CID 146998472
N-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropyl-N-methylmethanesulfonamide;hydrochloride
CID 57471380
(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10611903
7-[4-amino-4-(cyclopropylmethylsulfonyl)pentyl]-1-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 70222274
1-benzyl-7-[2-(cyclopropylamino)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-amine;propane-1-sulfonic acid
CID 172817222
N-[[8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylpyrrole-3-sulfonamide;hydrochloride
CID 57467304

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-(2-methylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The IUPAC name of 1-benzyl-7-(2-methylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (CID 159439876) is 1-benzyl-7-(2-methylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.
What is the SMILES notation for 1-benzyl-7-(2-methylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The canonical SMILES for 1-benzyl-7-(2-methylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is CS(=O)(=O)CCc1ccc2c(c1)C(Cc1ccccc1)C(N)CC2.Cl.
What is the InChIKey of 1-benzyl-7-(2-methylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The InChIKey is DLXSEPCNOUUUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2S.ClH/c1-24(22,23)12-11-16-7-8-17-9-10-20(21)19(18(17)13-16)14-15-5-3-2-4-6-15;/h2-8,13,19-20H,9-12,14,21H2,1H3;1H.
What are the key properties of 1-benzyl-7-(2-methylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
1-benzyl-7-(2-methylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride has a molecular weight of 379.95 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-(2-methylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is sourced from PubChem (CID 159439876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).