(1R)-7-bromo-N-(2-ethylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C14H20BrNO2S — CID 97158290

IUPAC(1R)-7-bromo-N-(2-ethylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCS(=O)(=O)CCN[C@@H]1CCCc2ccc(Br)cc21
InChIInChI=1S/C14H20BrNO2S/c1-2-19(17,18)9-8-16-14-5-3-4-11-6-7-12(15)10-13(11)14/h6-7,10,14,16H,2-5,8-9H2,1H3/t14-/m1/s1
InChIKeyFIYIPXUMOKGJMH-CQSZACIVSA-N
MW346.29 g/mol
LogP2.85
Rot. Bonds5

About (1R)-7-bromo-N-(2-ethylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine

(1R)-7-bromo-N-(2-ethylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 97158290) has the molecular formula C14H20BrNO2S and a molecular weight of 346.29 g/mol. Its IUPAC name is (1R)-7-bromo-N-(2-ethylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R)-7-bromo-N-(2-ethylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID97158290
Molecular FormulaC14H20BrNO2S
Molecular Weight346.29 g/mol
Exact Mass345.04
IUPAC Name(1R)-7-bromo-N-(2-ethylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCS(=O)(=O)CCN[C@@H]1CCCc2ccc(Br)cc21
InChIInChI=1S/C14H20BrNO2S/c1-2-19(17,18)9-8-16-14-5-3-4-11-6-7-12(15)10-13(11)14/h6-7,10,14,16H,2-5,8-9H2,1H3/t14-/m1/s1
InChIKeyFIYIPXUMOKGJMH-CQSZACIVSA-N
XLogP2.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-N-(2-methylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79240012
5-(2-ethylsulfonylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 103781006
2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylethanesulfonamide
CID 102676098
(2R)-2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 103894761
2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide
CID 79366308
7-cyclohexyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63512491
3-ethyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63512839
6-bromo-N-(2-methylsulfonylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 54932496
1-N-ethyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine
CID 84754057
3-[(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 115765361
N-ethyl-7-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62737677
N-[2-(5-bromothiophen-2-yl)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106042610

Frequently Asked Questions

What is the IUPAC name of (1R)-7-bromo-N-(2-ethylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1R)-7-bromo-N-(2-ethylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 97158290) is (1R)-7-bromo-N-(2-ethylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1R)-7-bromo-N-(2-ethylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1R)-7-bromo-N-(2-ethylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine is CCS(=O)(=O)CCN[C@@H]1CCCc2ccc(Br)cc21.
What is the InChIKey of (1R)-7-bromo-N-(2-ethylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is FIYIPXUMOKGJMH-CQSZACIVSA-N. The full InChI is InChI=1S/C14H20BrNO2S/c1-2-19(17,18)9-8-16-14-5-3-4-11-6-7-12(15)10-13(11)14/h6-7,10,14,16H,2-5,8-9H2,1H3/t14-/m1/s1.
What are the key properties of (1R)-7-bromo-N-(2-ethylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
(1R)-7-bromo-N-(2-ethylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 346.29 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-bromo-N-(2-ethylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 97158290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).