1-(5-bromo-2-ethoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine

C15H24BrNO3S — CID 104518718

IUPAC1-(5-bromo-2-ethoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
SMILESCCCNC(c1cc(Br)ccc1OCC)C(C)S(C)(=O)=O
InChIInChI=1S/C15H24BrNO3S/c1-5-9-17-15(11(3)21(4,18)19)13-10-12(16)7-8-14(13)20-6-2/h7-8,10-11,15,17H,5-6,9H2,1-4H3
InChIKeyCTKBQOOPOBLQTN-UHFFFAOYSA-N
MW378.33 g/mol
LogP3.32
Rot. Bonds8

About 1-(5-bromo-2-ethoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine

1-(5-bromo-2-ethoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine (PubChem CID 104518718) has the molecular formula C15H24BrNO3S and a molecular weight of 378.33 g/mol. Its IUPAC name is 1-(5-bromo-2-ethoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-ethoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
PubChem CID104518718
Molecular FormulaC15H24BrNO3S
Molecular Weight378.33 g/mol
Exact Mass377.07
IUPAC Name1-(5-bromo-2-ethoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
SMILESCCCNC(c1cc(Br)ccc1OCC)C(C)S(C)(=O)=O
InChIInChI=1S/C15H24BrNO3S/c1-5-9-17-15(11(3)21(4,18)19)13-10-12(16)7-8-14(13)20-6-2/h7-8,10-11,15,17H,5-6,9H2,1-4H3
InChIKeyCTKBQOOPOBLQTN-UHFFFAOYSA-N
XLogP3.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromo-2-ethoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-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-(2-ethoxy-5-methylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518845
1-(2-bromo-4-methoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518757
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 103394855
1-(5-bromo-2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43493527
1-(3-bromo-4-methoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518650
1-(5-bromo-2-methoxyphenyl)-3-methylsulfonyl-N-propylbutan-2-amine
CID 115816951
N-[1-(5-bromo-2-propoxyphenyl)ethyl]propan-1-amine
CID 55068348
N-[1-(5-bromo-2-butoxyphenyl)ethyl]propan-1-amine
CID 63500692
1-(3,4-dimethylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518652
1-(5-bromo-2-ethoxyphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 79644821
1-(4-fluoro-3,5-dimethylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518934
3-[4-bromo-2-[1-(propylamino)ethyl]phenoxy]-2,2-dimethylpropanoic acid
CID 79621031

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-ethoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine?
The IUPAC name of 1-(5-bromo-2-ethoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine (CID 104518718) is 1-(5-bromo-2-ethoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-ethoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(5-bromo-2-ethoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine is CCCNC(c1cc(Br)ccc1OCC)C(C)S(C)(=O)=O.
What is the InChIKey of 1-(5-bromo-2-ethoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine?
The InChIKey is CTKBQOOPOBLQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO3S/c1-5-9-17-15(11(3)21(4,18)19)13-10-12(16)7-8-14(13)20-6-2/h7-8,10-11,15,17H,5-6,9H2,1-4H3.
What are the key properties of 1-(5-bromo-2-ethoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine?
1-(5-bromo-2-ethoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine has a molecular weight of 378.33 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-ethoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine is sourced from PubChem (CID 104518718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).