1-(3-chlorophenyl)-2-[methyl(3-methylsulfonylbutan-2-yl)amino]ethanol

C14H22ClNO3S — CID 111488070

IUPAC1-(3-chlorophenyl)-2-[methyl(3-methylsulfonylbutan-2-yl)amino]ethanol
SMILESCC(C(C)S(C)(=O)=O)N(C)CC(O)c1cccc(Cl)c1
InChIInChI=1S/C14H22ClNO3S/c1-10(11(2)20(4,18)19)16(3)9-14(17)12-6-5-7-13(15)8-12/h5-8,10-11,14,17H,9H2,1-4H3
InChIKeyAPXMATLRMOPFSG-UHFFFAOYSA-N
MW319.85 g/mol
LogP2.13
Rot. Bonds6

About 1-(3-chlorophenyl)-2-[methyl(3-methylsulfonylbutan-2-yl)amino]ethanol

1-(3-chlorophenyl)-2-[methyl(3-methylsulfonylbutan-2-yl)amino]ethanol (PubChem CID 111488070) has the molecular formula C14H22ClNO3S and a molecular weight of 319.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[methyl(3-methylsulfonylbutan-2-yl)amino]ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[methyl(3-methylsulfonylbutan-2-yl)amino]ethanol
PubChem CID111488070
Molecular FormulaC14H22ClNO3S
Molecular Weight319.85 g/mol
Exact Mass319.10
IUPAC Name1-(3-chlorophenyl)-2-[methyl(3-methylsulfonylbutan-2-yl)amino]ethanol
SMILESCC(C(C)S(C)(=O)=O)N(C)CC(O)c1cccc(Cl)c1
InChIInChI=1S/C14H22ClNO3S/c1-10(11(2)20(4,18)19)16(3)9-14(17)12-6-5-7-13(15)8-12/h5-8,10-11,14,17H,9H2,1-4H3
InChIKeyAPXMATLRMOPFSG-UHFFFAOYSA-N
XLogP2.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.85
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-2-methylsulfonylpropan-1-ol
CID 102550104
1-(3-chlorophenyl)-2-methylsulfonylpropan-1-amine
CID 102550992
[1-(3-chlorophenyl)-2-methylsulfonylpropyl]hydrazine
CID 105289216
N-[1-[2-(3-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 71986979
[2-(3-chlorophenyl)-2-hydroxyethyl] N,N-di(propan-2-yl)carbamate
CID 102598448
1-(3-chlorophenyl)-2-propan-2-ylsulfanylethanol
CID 65132101
(1R)-2-chloro-1-(3-chlorophenyl)ethanol
CID 10375278
1-(3-chlorophenyl)-2-[(3,5-dimethylphenyl)methylsulfonyl]ethanol
CID 111472427
1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]ethanol
CID 71497976
4-[(2R)-2-[bis[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenol
CID 18645339
methyl (2R)-2-[(2-chloroacetyl)-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propanoate
CID 139647175
(1R)-1-(3-chlorophenyl)-2-methylpropan-1-ol
CID 93312224

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[methyl(3-methylsulfonylbutan-2-yl)amino]ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-[methyl(3-methylsulfonylbutan-2-yl)amino]ethanol (CID 111488070) is 1-(3-chlorophenyl)-2-[methyl(3-methylsulfonylbutan-2-yl)amino]ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[methyl(3-methylsulfonylbutan-2-yl)amino]ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-[methyl(3-methylsulfonylbutan-2-yl)amino]ethanol is CC(C(C)S(C)(=O)=O)N(C)CC(O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[methyl(3-methylsulfonylbutan-2-yl)amino]ethanol?
The InChIKey is APXMATLRMOPFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO3S/c1-10(11(2)20(4,18)19)16(3)9-14(17)12-6-5-7-13(15)8-12/h5-8,10-11,14,17H,9H2,1-4H3.
What are the key properties of 1-(3-chlorophenyl)-2-[methyl(3-methylsulfonylbutan-2-yl)amino]ethanol?
1-(3-chlorophenyl)-2-[methyl(3-methylsulfonylbutan-2-yl)amino]ethanol has a molecular weight of 319.85 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[methyl(3-methylsulfonylbutan-2-yl)amino]ethanol is sourced from PubChem (CID 111488070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).