1-(5-chloro-2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine

C12H18ClNO3S — CID 112688271

IUPAC1-(5-chloro-2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine
SMILESCNC(Cc1cc(Cl)ccc1OC)CS(C)(=O)=O
InChIInChI=1S/C12H18ClNO3S/c1-14-11(8-18(3,15)16)7-9-6-10(13)4-5-12(9)17-2/h4-6,11,14H,7-8H2,1-3H3
InChIKeyOSCJHPHZNBMLEJ-UHFFFAOYSA-N
MW291.80 g/mol
LogP1.52
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine

1-(5-chloro-2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine (PubChem CID 112688271) has the molecular formula C12H18ClNO3S and a molecular weight of 291.80 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine
PubChem CID112688271
Molecular FormulaC12H18ClNO3S
Molecular Weight291.80 g/mol
Exact Mass291.07
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine
SMILESCNC(Cc1cc(Cl)ccc1OC)CS(C)(=O)=O
InChIInChI=1S/C12H18ClNO3S/c1-14-11(8-18(3,15)16)7-9-6-10(13)4-5-12(9)17-2/h4-6,11,14H,7-8H2,1-3H3
InChIKeyOSCJHPHZNBMLEJ-UHFFFAOYSA-N
XLogP1.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichlorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine
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1-(2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine
CID 62473638
1-(5-chloro-2-methoxyphenyl)-N-methylnonan-2-amine
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1-(5-chloro-2-methoxyphenyl)-N-ethyl-3-methylsulfonylbutan-2-amine
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1-(5-chloro-2-methoxyphenyl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine
CID 65139555
4-chloro-2-(1-chloro-2-methylsulfonylethyl)-1-methoxybenzene
CID 104546377
1-(5-bromo-2-fluorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine
CID 113229521
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylethanamine
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[1-(5-chloro-2-methoxyphenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025258
1-(5-chlorofuran-2-yl)-2-(5-chloro-2-methoxyphenyl)-N-methylethanamine
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2-(5-chloro-2-methoxyphenyl)ethyl methanesulfonate
CID 118084157

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine (CID 112688271) is 1-(5-chloro-2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine is CNC(Cc1cc(Cl)ccc1OC)CS(C)(=O)=O.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine?
The InChIKey is OSCJHPHZNBMLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO3S/c1-14-11(8-18(3,15)16)7-9-6-10(13)4-5-12(9)17-2/h4-6,11,14H,7-8H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine?
1-(5-chloro-2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine has a molecular weight of 291.80 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine is sourced from PubChem (CID 112688271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).