2-(4-bromophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanamine

C17H20BrNOS — CID 103433633

IUPAC2-(4-bromophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanamine
SMILESCOc1c(C(N)CSc2ccc(Br)cc2)ccc(C)c1C
InChIInChI=1S/C17H20BrNOS/c1-11-4-9-15(17(20-3)12(11)2)16(19)10-21-14-7-5-13(18)6-8-14/h4-9,16H,10,19H2,1-3H3
InChIKeyFVVAEGJUCFLFLX-UHFFFAOYSA-N
MW366.32 g/mol
LogP4.87
Rot. Bonds5

About 2-(4-bromophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanamine

2-(4-bromophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanamine (PubChem CID 103433633) has the molecular formula C17H20BrNOS and a molecular weight of 366.32 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanamine
PubChem CID103433633
Molecular FormulaC17H20BrNOS
Molecular Weight366.32 g/mol
Exact Mass365.04
IUPAC Name2-(4-bromophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanamine
SMILESCOc1c(C(N)CSc2ccc(Br)cc2)ccc(C)c1C
InChIInChI=1S/C17H20BrNOS/c1-11-4-9-15(17(20-3)12(11)2)16(19)10-21-14-7-5-13(18)6-8-14/h4-9,16H,10,19H2,1-3H3
InChIKeyFVVAEGJUCFLFLX-UHFFFAOYSA-N
XLogP4.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine
CID 66054705
3-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-3-methylbutan-1-amine
CID 103435571
2-(4-fluorophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanol
CID 103433160
2-(4-bromophenyl)sulfanyl-1-naphthalen-1-ylethanamine
CID 64613898
1-(4-bromophenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 103433281
1-(2-methoxy-3,4-dimethylphenyl)-2-(4-methylphenyl)ethanamine
CID 103433454
(4-bromo-2-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103435334
(2S)-1-(4-bromophenyl)sulfanylpropan-2-amine
CID 95457418
(5-bromo-3-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433757
1-(2-methoxy-3,4-dimethylphenyl)-2-methylsulfanylethanol
CID 103433114
(3,5-dibromophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 107978788
2-(4-bromophenyl)sulfanyl-1-isoquinolin-5-ylethanamine
CID 66055100

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanamine (CID 103433633) is 2-(4-bromophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanamine is COc1c(C(N)CSc2ccc(Br)cc2)ccc(C)c1C.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanamine?
The InChIKey is FVVAEGJUCFLFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNOS/c1-11-4-9-15(17(20-3)12(11)2)16(19)10-21-14-7-5-13(18)6-8-14/h4-9,16H,10,19H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanamine?
2-(4-bromophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanamine has a molecular weight of 366.32 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanamine is sourced from PubChem (CID 103433633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).