2-[(2-chlorophenyl)methyl]-N-methyl-4-propan-2-ylsulfonylbutan-1-amine

C15H24ClNO2S — CID 106729759

IUPAC2-[(2-chlorophenyl)methyl]-N-methyl-4-propan-2-ylsulfonylbutan-1-amine
SMILESCNCC(CCS(=O)(=O)C(C)C)Cc1ccccc1Cl
InChIInChI=1S/C15H24ClNO2S/c1-12(2)20(18,19)9-8-13(11-17-3)10-14-6-4-5-7-15(14)16/h4-7,12-13,17H,8-11H2,1-3H3
InChIKeyWENZKIBNADKKMC-UHFFFAOYSA-N
MW317.88 g/mol
LogP2.93
Rot. Bonds8

About 2-[(2-chlorophenyl)methyl]-N-methyl-4-propan-2-ylsulfonylbutan-1-amine

2-[(2-chlorophenyl)methyl]-N-methyl-4-propan-2-ylsulfonylbutan-1-amine (PubChem CID 106729759) has the molecular formula C15H24ClNO2S and a molecular weight of 317.88 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-N-methyl-4-propan-2-ylsulfonylbutan-1-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-N-methyl-4-propan-2-ylsulfonylbutan-1-amine
PubChem CID106729759
Molecular FormulaC15H24ClNO2S
Molecular Weight317.88 g/mol
Exact Mass317.12
IUPAC Name2-[(2-chlorophenyl)methyl]-N-methyl-4-propan-2-ylsulfonylbutan-1-amine
SMILESCNCC(CCS(=O)(=O)C(C)C)Cc1ccccc1Cl
InChIInChI=1S/C15H24ClNO2S/c1-12(2)20(18,19)9-8-13(11-17-3)10-14-6-4-5-7-15(14)16/h4-7,12-13,17H,8-11H2,1-3H3
InChIKeyWENZKIBNADKKMC-UHFFFAOYSA-N
XLogP2.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.88
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)methyl]-N-methylundecan-1-amine
CID 63521234
2-[(2-chlorophenyl)methyl]-5-methylsulfonyl-N-propan-2-ylpentan-1-amine
CID 63195694
1-[2-(chloromethyl)-4-propan-2-ylsulfonylbutyl]-2-methylbenzene
CID 106734538
3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-N-methylpropan-1-amine
CID 63523145
2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-N-methylpropan-1-amine
CID 63523561
2-[(2-chlorophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62514759
2-[(2-chlorophenyl)methyl]-6-methyl-N-(2-methylpropyl)heptan-1-amine
CID 83148905
2-[(2-chlorophenyl)methyl]-6-methyl-N-propan-2-ylheptan-1-amine
CID 83169774
2-(4-chlorophenyl)-N-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106730148
2-[(2-chlorophenyl)methyl]-3-(4-fluoro-2-methylphenyl)-N-methylpropan-1-amine
CID 114348813
2-[(2-chlorophenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 55196988
1-chloro-2-[2-(chloromethyl)-5-methylsulfonylpentyl]benzene
CID 66048378

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-N-methyl-4-propan-2-ylsulfonylbutan-1-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-N-methyl-4-propan-2-ylsulfonylbutan-1-amine (CID 106729759) is 2-[(2-chlorophenyl)methyl]-N-methyl-4-propan-2-ylsulfonylbutan-1-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-N-methyl-4-propan-2-ylsulfonylbutan-1-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-N-methyl-4-propan-2-ylsulfonylbutan-1-amine is CNCC(CCS(=O)(=O)C(C)C)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-N-methyl-4-propan-2-ylsulfonylbutan-1-amine?
The InChIKey is WENZKIBNADKKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2S/c1-12(2)20(18,19)9-8-13(11-17-3)10-14-6-4-5-7-15(14)16/h4-7,12-13,17H,8-11H2,1-3H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-N-methyl-4-propan-2-ylsulfonylbutan-1-amine?
2-[(2-chlorophenyl)methyl]-N-methyl-4-propan-2-ylsulfonylbutan-1-amine has a molecular weight of 317.88 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-N-methyl-4-propan-2-ylsulfonylbutan-1-amine is sourced from PubChem (CID 106729759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).