1-(5-bromo-2-methoxyphenyl)-3-ethylsulfanyl-N-propylpropan-2-amine

C15H24BrNOS — CID 65127733

IUPAC1-(5-bromo-2-methoxyphenyl)-3-ethylsulfanyl-N-propylpropan-2-amine
SMILESCCCNC(CSCC)Cc1cc(Br)ccc1OC
InChIInChI=1S/C15H24BrNOS/c1-4-8-17-14(11-19-5-2)10-12-9-13(16)6-7-15(12)18-3/h6-7,9,14,17H,4-5,8,10-11H2,1-3H3
InChIKeyHZKRZHXHPNAYIJ-UHFFFAOYSA-N
MW346.33 g/mol
LogP4.12
Rot. Bonds9

About 1-(5-bromo-2-methoxyphenyl)-3-ethylsulfanyl-N-propylpropan-2-amine

1-(5-bromo-2-methoxyphenyl)-3-ethylsulfanyl-N-propylpropan-2-amine (PubChem CID 65127733) has the molecular formula C15H24BrNOS and a molecular weight of 346.33 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-3-ethylsulfanyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-3-ethylsulfanyl-N-propylpropan-2-amine
PubChem CID65127733
Molecular FormulaC15H24BrNOS
Molecular Weight346.33 g/mol
Exact Mass345.08
IUPAC Name1-(5-bromo-2-methoxyphenyl)-3-ethylsulfanyl-N-propylpropan-2-amine
SMILESCCCNC(CSCC)Cc1cc(Br)ccc1OC
InChIInChI=1S/C15H24BrNOS/c1-4-8-17-14(11-19-5-2)10-12-9-13(16)6-7-15(12)18-3/h6-7,9,14,17H,4-5,8,10-11H2,1-3H3
InChIKeyHZKRZHXHPNAYIJ-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromo-2-methoxyphenyl)-3-ethylsulfanyl-N-propylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-2-methoxyphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 79959284
1-(2-methoxy-5-methylphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62693208
1-(5-bromo-2-methoxyphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62501357
1-(5-bromo-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 62693196
1-(5-bromo-2-methoxyphenyl)-N-propylhexan-3-amine
CID 63399896
1-(5-bromo-2-fluorophenyl)-N-propyl-3-propylsulfanylpropan-2-amine
CID 65128761
1-(5-bromo-2-methoxyphenyl)-3-methoxy-N-propylhexan-2-amine
CID 116719357
1-(2-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 55108619
1-(5-bromo-2-methoxyphenyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 115817611
1-(5-bromo-2-methoxyphenyl)-3-methylsulfonyl-N-propylbutan-2-amine
CID 115816951
[1-(5-bromo-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine
CID 105226128
[1-ethylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-yl]hydrazine
CID 105225439

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-ethylsulfanyl-N-propylpropan-2-amine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-ethylsulfanyl-N-propylpropan-2-amine (CID 65127733) is 1-(5-bromo-2-methoxyphenyl)-3-ethylsulfanyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-3-ethylsulfanyl-N-propylpropan-2-amine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-3-ethylsulfanyl-N-propylpropan-2-amine is CCCNC(CSCC)Cc1cc(Br)ccc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-3-ethylsulfanyl-N-propylpropan-2-amine?
The InChIKey is HZKRZHXHPNAYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNOS/c1-4-8-17-14(11-19-5-2)10-12-9-13(16)6-7-15(12)18-3/h6-7,9,14,17H,4-5,8,10-11H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-3-ethylsulfanyl-N-propylpropan-2-amine?
1-(5-bromo-2-methoxyphenyl)-3-ethylsulfanyl-N-propylpropan-2-amine has a molecular weight of 346.33 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-3-ethylsulfanyl-N-propylpropan-2-amine is sourced from PubChem (CID 65127733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).