2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine

C16H18BrNO2S — CID 64651801

IUPAC2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine
SMILESCNC(CS(=O)c1ccc(Br)cc1)c1cccc(OC)c1
InChIInChI=1S/C16H18BrNO2S/c1-18-16(12-4-3-5-14(10-12)20-2)11-21(19)15-8-6-13(17)7-9-15/h3-10,16,18H,11H2,1-2H3
InChIKeyLKLKTIMNFLFOPU-UHFFFAOYSA-N
MW368.30 g/mol
LogP3.53
Rot. Bonds6

About 2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine

2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine (PubChem CID 64651801) has the molecular formula C16H18BrNO2S and a molecular weight of 368.30 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine
PubChem CID64651801
Molecular FormulaC16H18BrNO2S
Molecular Weight368.30 g/mol
Exact Mass367.02
IUPAC Name2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine
SMILESCNC(CS(=O)c1ccc(Br)cc1)c1cccc(OC)c1
InChIInChI=1S/C16H18BrNO2S/c1-18-16(12-4-3-5-14(10-12)20-2)11-21(19)15-8-6-13(17)7-9-15/h3-10,16,18H,11H2,1-2H3
InChIKeyLKLKTIMNFLFOPU-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 60799436
2-(3-methoxyphenyl)sulfinyl-N-methyl-1-(4-methylphenyl)ethanamine
CID 64659524
2-(2-fluorophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine
CID 64658527
2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)ethanone
CID 64641307
2-(2-bromo-5-methoxyphenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 65325112
N-methyl-2-(3-methylphenyl)sulfinyl-1-phenylethanamine
CID 64657051
1-(3-bromophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 61064465
2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)-N-methylethanamine
CID 82004737
1-(3-methoxyphenyl)-N-methyloctan-1-amine
CID 62606041
[2-(5-bromo-2-methoxyphenyl)-1-(3-methoxyphenyl)ethyl]hydrazine
CID 105191716
2-(3-chlorophenyl)sulfinyl-1-(3-methoxyphenyl)ethanamine
CID 64658769
2-(benzenesulfonyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 62917727

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine (CID 64651801) is 2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine is CNC(CS(=O)c1ccc(Br)cc1)c1cccc(OC)c1.
What is the InChIKey of 2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine?
The InChIKey is LKLKTIMNFLFOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2S/c1-18-16(12-4-3-5-14(10-12)20-2)11-21(19)15-8-6-13(17)7-9-15/h3-10,16,18H,11H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine?
2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine has a molecular weight of 368.30 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 64651801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).