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

C17H18BrNOS — CID 64658968

IUPAC2-(3-bromophenyl)sulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1S(=O)c1cccc(Br)c1
InChIInChI=1S/C17H18BrNOS/c1-19-17-15-8-3-2-5-12(15)9-10-16(17)21(20)14-7-4-6-13(18)11-14/h2-8,11,16-17,19H,9-10H2,1H3
InChIKeyODCPXZPFWQXJEC-UHFFFAOYSA-N
MW364.31 g/mol
LogP3.83
Rot. Bonds3

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

2-(3-bromophenyl)sulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 64658968) has the molecular formula C17H18BrNOS and a molecular weight of 364.31 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID64658968
Molecular FormulaC17H18BrNOS
Molecular Weight364.31 g/mol
Exact Mass363.03
IUPAC Name2-(3-bromophenyl)sulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1S(=O)c1cccc(Br)c1
InChIInChI=1S/C17H18BrNOS/c1-19-17-15-8-3-2-5-12(15)9-10-16(17)21(20)14-7-4-6-13(18)11-14/h2-8,11,16-17,19H,9-10H2,1H3
InChIKeyODCPXZPFWQXJEC-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzenesulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64659234
6-(benzenesulfinyl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64658647
2-(3-chlorophenyl)sulfinyl-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 64657981
2-(cyclopentylmethylsulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64656680
2-(3-bromophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64632008
2-benzylsulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64658553
3-(3-bromophenyl)sulfinyl-N-methylcyclopentan-1-amine
CID 64723864
N-methyl-2-pentylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107758741
3-(3-bromophenyl)sulfinyl-N-methylcyclohexan-1-amine
CID 64716545
2-(3-bromophenyl)sulfinyl-4-tert-butyl-N-methylcyclohexan-1-amine
CID 64657799
6-(cyclopentylmethylsulfinyl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64656074
N-methyl-2-methylsulfinyl-2,3-dihydro-1H-inden-1-amine
CID 64656013

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-(3-bromophenyl)sulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 64658968) is 2-(3-bromophenyl)sulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)sulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-(3-bromophenyl)sulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1c2ccccc2CCC1S(=O)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)sulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is ODCPXZPFWQXJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNOS/c1-19-17-15-8-3-2-5-12(15)9-10-16(17)21(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)sulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
2-(3-bromophenyl)sulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 364.31 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 64658968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).