4-propan-2-yloxy-N-(2-propylsulfonylethyl)aniline

C14H23NO3S — CID 106723145

IUPAC4-propan-2-yloxy-N-(2-propylsulfonylethyl)aniline
SMILESCCCS(=O)(=O)CCNc1ccc(OC(C)C)cc1
InChIInChI=1S/C14H23NO3S/c1-4-10-19(16,17)11-9-15-13-5-7-14(8-6-13)18-12(2)3/h5-8,12,15H,4,9-11H2,1-3H3
InChIKeySJUXNGWAFQEBIX-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.71
Rot. Bonds8

About 4-propan-2-yloxy-N-(2-propylsulfonylethyl)aniline

4-propan-2-yloxy-N-(2-propylsulfonylethyl)aniline (PubChem CID 106723145) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-(2-propylsulfonylethyl)aniline.

Molecular Properties

Compound Name4-propan-2-yloxy-N-(2-propylsulfonylethyl)aniline
PubChem CID106723145
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name4-propan-2-yloxy-N-(2-propylsulfonylethyl)aniline
SMILESCCCS(=O)(=O)CCNc1ccc(OC(C)C)cc1
InChIInChI=1S/C14H23NO3S/c1-4-10-19(16,17)11-9-15-13-5-7-14(8-6-13)18-12(2)3/h5-8,12,15H,4,9-11H2,1-3H3
InChIKeySJUXNGWAFQEBIX-UHFFFAOYSA-N
XLogP2.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-tert-butylsulfonylethyl)-4-propan-2-yloxyaniline
CID 106723144
4-chloro-N-(2-propylsulfonylethyl)aniline
CID 106513312
N-(2-ethylsulfonylethyl)-4-methoxyaniline
CID 43807675
N-(4-propan-2-yloxyphenyl)-N',N'-dipropylethane-1,2-diamine
CID 54809461
4-butyl-N-(2-propylsulfonylethyl)aniline
CID 106723202
N-[4-(butylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112980319
4-(difluoromethoxy)-N-(2-propan-2-ylsulfonylethyl)aniline
CID 106723179
3,4-difluoro-N-(2-propylsulfonylethyl)aniline
CID 106723062
6-methoxy-N-(2-propylsulfonylethyl)pyridin-3-amine
CID 106722892
4-ethoxy-N-(2-propan-2-ylsulfonylethyl)aniline
CID 106722923
N-[4-(3-methylbutylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112985174
tert-butyl N-[2-(4-propan-2-yloxyanilino)ethyl]carbamate
CID 115671145

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-(2-propylsulfonylethyl)aniline?
The IUPAC name of 4-propan-2-yloxy-N-(2-propylsulfonylethyl)aniline (CID 106723145) is 4-propan-2-yloxy-N-(2-propylsulfonylethyl)aniline.
What is the SMILES notation for 4-propan-2-yloxy-N-(2-propylsulfonylethyl)aniline?
The canonical SMILES for 4-propan-2-yloxy-N-(2-propylsulfonylethyl)aniline is CCCS(=O)(=O)CCNc1ccc(OC(C)C)cc1.
What is the InChIKey of 4-propan-2-yloxy-N-(2-propylsulfonylethyl)aniline?
The InChIKey is SJUXNGWAFQEBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-4-10-19(16,17)11-9-15-13-5-7-14(8-6-13)18-12(2)3/h5-8,12,15H,4,9-11H2,1-3H3.
What are the key properties of 4-propan-2-yloxy-N-(2-propylsulfonylethyl)aniline?
4-propan-2-yloxy-N-(2-propylsulfonylethyl)aniline has a molecular weight of 285.41 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-(2-propylsulfonylethyl)aniline is sourced from PubChem (CID 106723145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).