1-(5-bromo-2-methoxyphenyl)-3-methylsulfonyl-N-propylbutan-2-amine

C15H24BrNO3S — CID 115816951

IUPAC1-(5-bromo-2-methoxyphenyl)-3-methylsulfonyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1cc(Br)ccc1OC)C(C)S(C)(=O)=O
InChIInChI=1S/C15H24BrNO3S/c1-5-8-17-14(11(2)21(4,18)19)10-12-9-13(16)6-7-15(12)20-3/h6-7,9,11,14,17H,5,8,10H2,1-4H3
InChIKeyZVGMPPHYXLDXSX-UHFFFAOYSA-N
MW378.33 g/mol
LogP2.80
Rot. Bonds8

About 1-(5-bromo-2-methoxyphenyl)-3-methylsulfonyl-N-propylbutan-2-amine

1-(5-bromo-2-methoxyphenyl)-3-methylsulfonyl-N-propylbutan-2-amine (PubChem CID 115816951) has the molecular formula C15H24BrNO3S and a molecular weight of 378.33 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-3-methylsulfonyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-3-methylsulfonyl-N-propylbutan-2-amine
PubChem CID115816951
Molecular FormulaC15H24BrNO3S
Molecular Weight378.33 g/mol
Exact Mass377.07
IUPAC Name1-(5-bromo-2-methoxyphenyl)-3-methylsulfonyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1cc(Br)ccc1OC)C(C)S(C)(=O)=O
InChIInChI=1S/C15H24BrNO3S/c1-5-8-17-14(11(2)21(4,18)19)10-12-9-13(16)6-7-15(12)20-3/h6-7,9,11,14,17H,5,8,10H2,1-4H3
InChIKeyZVGMPPHYXLDXSX-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 115817611
1-(5-bromo-2-methoxyphenyl)-3-methoxy-N-propylhexan-2-amine
CID 116719357
1-(5-chloro-2-methoxyphenyl)-N-ethyl-3-methylsulfonylbutan-2-amine
CID 115844824
1-(5-bromo-2-methoxyphenyl)-N-ethyl-3,4-dimethylpentan-2-amine
CID 115817634
1-(5-bromo-2-ethoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518718
1-(5-bromo-2-methoxyphenyl)-3-ethylsulfanyl-N-propylpropan-2-amine
CID 65127733
1-(3-bromo-4-methoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518650
1-(3,4-dimethylphenyl)-3-methylsulfonyl-N-propylbutan-2-amine
CID 104519960
1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine
CID 55042038
1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylbutan-2-amine
CID 64533791
3-(5-bromo-2-methoxyphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62530686
1-(5-bromo-2-methoxyphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 79959284

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-methylsulfonyl-N-propylbutan-2-amine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-methylsulfonyl-N-propylbutan-2-amine (CID 115816951) is 1-(5-bromo-2-methoxyphenyl)-3-methylsulfonyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-3-methylsulfonyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-3-methylsulfonyl-N-propylbutan-2-amine is CCCNC(Cc1cc(Br)ccc1OC)C(C)S(C)(=O)=O.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-3-methylsulfonyl-N-propylbutan-2-amine?
The InChIKey is ZVGMPPHYXLDXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO3S/c1-5-8-17-14(11(2)21(4,18)19)10-12-9-13(16)6-7-15(12)20-3/h6-7,9,11,14,17H,5,8,10H2,1-4H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-3-methylsulfonyl-N-propylbutan-2-amine?
1-(5-bromo-2-methoxyphenyl)-3-methylsulfonyl-N-propylbutan-2-amine has a molecular weight of 378.33 g/mol, XLogP of 2.80, 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-methoxyphenyl)-3-methylsulfonyl-N-propylbutan-2-amine is sourced from PubChem (CID 115816951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).