2-(3-bromophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C17H18BrNS — CID 64632008

IUPAC2-(3-bromophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1Sc1cccc(Br)c1
InChIInChI=1S/C17H18BrNS/c1-19-17-15-8-3-2-5-12(15)9-10-16(17)20-14-7-4-6-13(18)11-14/h2-8,11,16-17,19H,9-10H2,1H3
InChIKeyJKLMKTWHOMMGTP-UHFFFAOYSA-N
MW348.31 g/mol
LogP4.82
Rot. Bonds3

About 2-(3-bromophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

2-(3-bromophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 64632008) has the molecular formula C17H18BrNS and a molecular weight of 348.31 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID64632008
Molecular FormulaC17H18BrNS
Molecular Weight348.31 g/mol
Exact Mass347.03
IUPAC Name2-(3-bromophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1Sc1cccc(Br)c1
InChIInChI=1S/C17H18BrNS/c1-19-17-15-8-3-2-5-12(15)9-10-16(17)20-14-7-4-6-13(18)11-14/h2-8,11,16-17,19H,9-10H2,1H3
InChIKeyJKLMKTWHOMMGTP-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-(3-bromophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 64632008) is 2-(3-bromophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-(3-bromophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1c2ccccc2CCC1Sc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is JKLMKTWHOMMGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNS/c1-19-17-15-8-3-2-5-12(15)9-10-16(17)20-14-7-4-6-13(18)11-14/h2-8,11,16-17,19H,9-10H2,1H3.
What are the key properties of 2-(3-bromophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
2-(3-bromophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 348.31 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 64632008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).