N-[[5-chloro-2-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine

C15H24ClNO3S — CID 106722012

IUPACN-[[5-chloro-2-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine
SMILESCCCS(=O)(=O)CCOc1ccc(Cl)cc1CNC(C)C
InChIInChI=1S/C15H24ClNO3S/c1-4-8-21(18,19)9-7-20-15-6-5-14(16)10-13(15)11-17-12(2)3/h5-6,10,12,17H,4,7-9,11H2,1-3H3
InChIKeyOCVVCFVAXCPEIW-UHFFFAOYSA-N
MW333.88 g/mol
LogP3.04
Rot. Bonds9

About N-[[5-chloro-2-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine

N-[[5-chloro-2-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine (PubChem CID 106722012) has the molecular formula C15H24ClNO3S and a molecular weight of 333.88 g/mol. Its IUPAC name is N-[[5-chloro-2-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine
PubChem CID106722012
Molecular FormulaC15H24ClNO3S
Molecular Weight333.88 g/mol
Exact Mass333.12
IUPAC NameN-[[5-chloro-2-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine
SMILESCCCS(=O)(=O)CCOc1ccc(Cl)cc1CNC(C)C
InChIInChI=1S/C15H24ClNO3S/c1-4-8-21(18,19)9-7-20-15-6-5-14(16)10-13(15)11-17-12(2)3/h5-6,10,12,17H,4,7-9,11H2,1-3H3
InChIKeyOCVVCFVAXCPEIW-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-butoxy-5-chlorophenyl)methyl]propan-2-amine
CID 43278029
N-[[5-chloro-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine
CID 63501502
N-[[2-chloro-6-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine
CID 106722417
2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]acetic acid
CID 102535929
N-[[5-chloro-2-(2,2-difluoroethoxy)phenyl]methyl]propan-2-amine
CID 54939567
N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 61491521
N-[(2-but-2-ynoxy-5-chlorophenyl)methyl]propan-2-amine
CID 62310320
1-[5-methoxy-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine
CID 106728338
1-[3-chloro-4-(2-propylsulfonylethoxy)phenyl]-N-methylethanamine
CID 106722519
1-[2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]ethyl]imidazolidin-2-one
CID 43278045
N-[[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine
CID 43807428
N-[[5-chloro-2-(2,3-dichloroprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 79167603

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-chloro-2-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine (CID 106722012) is N-[[5-chloro-2-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-chloro-2-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine is CCCS(=O)(=O)CCOc1ccc(Cl)cc1CNC(C)C.
What is the InChIKey of N-[[5-chloro-2-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is OCVVCFVAXCPEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO3S/c1-4-8-21(18,19)9-7-20-15-6-5-14(16)10-13(15)11-17-12(2)3/h5-6,10,12,17H,4,7-9,11H2,1-3H3.
What are the key properties of N-[[5-chloro-2-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine?
N-[[5-chloro-2-(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-[[5-chloro-2-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 106722012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).