N-[[2-chloro-6-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine

C15H24ClNO3S — CID 106722417

IUPACN-[[2-chloro-6-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine
SMILESCCCS(=O)(=O)CCOc1cccc(Cl)c1CNC(C)C
InChIInChI=1S/C15H24ClNO3S/c1-4-9-21(18,19)10-8-20-15-7-5-6-14(16)13(15)11-17-12(2)3/h5-7,12,17H,4,8-11H2,1-3H3
InChIKeyWCCRNLVLZSQVFO-UHFFFAOYSA-N
MW333.88 g/mol
LogP3.04
Rot. Bonds9

About N-[[2-chloro-6-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine

N-[[2-chloro-6-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine (PubChem CID 106722417) has the molecular formula C15H24ClNO3S and a molecular weight of 333.88 g/mol. Its IUPAC name is N-[[2-chloro-6-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-chloro-6-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine
PubChem CID106722417
Molecular FormulaC15H24ClNO3S
Molecular Weight333.88 g/mol
Exact Mass333.12
IUPAC NameN-[[2-chloro-6-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine
SMILESCCCS(=O)(=O)CCOc1cccc(Cl)c1CNC(C)C
InChIInChI=1S/C15H24ClNO3S/c1-4-9-21(18,19)10-8-20-15-7-5-6-14(16)13(15)11-17-12(2)3/h5-7,12,17H,4,8-11H2,1-3H3
InChIKeyWCCRNLVLZSQVFO-UHFFFAOYSA-N
XLogP3.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.88
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]propan-2-amine
CID 114319605
N-[[5-chloro-2-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine
CID 106722012
N-[(2-but-3-enoxy-6-chlorophenyl)methyl]propan-2-amine
CID 113276717
N-[[2-chloro-6-(ethoxymethoxy)phenyl]methyl]propan-2-amine
CID 113276725
N-[[2-chloro-6-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 114319708
N-[[2-chloro-6-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine
CID 114318919
1-[3-chloro-4-(2-propylsulfonylethoxy)phenyl]-N-methylethanamine
CID 106722519
1-propan-2-yl-2-(2-propylsulfonylethoxy)benzene
CID 106732629
N-[(2-chloro-6-propoxyphenyl)methyl]-2-methylpropan-1-amine
CID 114320040
ethyl 2-[3-chloro-2-[(propan-2-ylamino)methyl]phenoxy]butanoate
CID 114319582
N-[[2-chloro-6-(4-chlorophenoxy)phenyl]methyl]propan-2-amine
CID 43282977
N-[[2-chloro-6-(3-methylsulfonylpropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 114319785

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-chloro-6-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine (CID 106722417) is N-[[2-chloro-6-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-chloro-6-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-chloro-6-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine is CCCS(=O)(=O)CCOc1cccc(Cl)c1CNC(C)C.
What is the InChIKey of N-[[2-chloro-6-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is WCCRNLVLZSQVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO3S/c1-4-9-21(18,19)10-8-20-15-7-5-6-14(16)13(15)11-17-12(2)3/h5-7,12,17H,4,8-11H2,1-3H3.
What are the key properties of N-[[2-chloro-6-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine?
N-[[2-chloro-6-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 333.88 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 106722417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).