1-(2-bromo-4-methoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine

C14H22BrNO3S — CID 104518757

IUPAC1-(2-bromo-4-methoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(OC)cc1Br)C(C)S(C)(=O)=O
InChIInChI=1S/C14H22BrNO3S/c1-5-8-16-14(10(2)20(4,17)18)12-7-6-11(19-3)9-13(12)15/h6-7,9-10,14,16H,5,8H2,1-4H3
InChIKeyOYNUFPWEDPFUFQ-UHFFFAOYSA-N
MW364.31 g/mol
LogP2.93
Rot. Bonds7

About 1-(2-bromo-4-methoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine

1-(2-bromo-4-methoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine (PubChem CID 104518757) has the molecular formula C14H22BrNO3S and a molecular weight of 364.31 g/mol. Its IUPAC name is 1-(2-bromo-4-methoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-4-methoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
PubChem CID104518757
Molecular FormulaC14H22BrNO3S
Molecular Weight364.31 g/mol
Exact Mass363.05
IUPAC Name1-(2-bromo-4-methoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(OC)cc1Br)C(C)S(C)(=O)=O
InChIInChI=1S/C14H22BrNO3S/c1-5-8-16-14(10(2)20(4,17)18)12-7-6-11(19-3)9-13(12)15/h6-7,9-10,14,16H,5,8H2,1-4H3
InChIKeyOYNUFPWEDPFUFQ-UHFFFAOYSA-N
XLogP2.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-bromo-4-methoxyphenyl)-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-bromo-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 54920126
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 103394855
N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylsulfonylpropan-1-amine
CID 104518588
1-(3-bromo-4-methoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518650
1-(2-bromo-4-methoxyphenyl)-N-propylpropan-1-amine
CID 60787472
1-(5-bromo-2-ethoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518718
2-ethylsulfonyl-1-(4-methoxyphenyl)-N-propylpropan-1-amine
CID 64647568
N-[(2-bromo-4-methoxyphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 54920080
1-(2-ethoxy-5-methylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518845
1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43496056
1-(3,4-dimethylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518652
1-(4-methoxy-2-methylphenyl)-2-methyl-N-propylpentan-1-amine
CID 43495595

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine?
The IUPAC name of 1-(2-bromo-4-methoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine (CID 104518757) is 1-(2-bromo-4-methoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2-bromo-4-methoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(2-bromo-4-methoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine is CCCNC(c1ccc(OC)cc1Br)C(C)S(C)(=O)=O.
What is the InChIKey of 1-(2-bromo-4-methoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine?
The InChIKey is OYNUFPWEDPFUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO3S/c1-5-8-16-14(10(2)20(4,17)18)12-7-6-11(19-3)9-13(12)15/h6-7,9-10,14,16H,5,8H2,1-4H3.
What are the key properties of 1-(2-bromo-4-methoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine?
1-(2-bromo-4-methoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine has a molecular weight of 364.31 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine is sourced from PubChem (CID 104518757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).