3-(2-aminoethoxy)-N-propan-2-ylsulfanylaniline

C11H18N2OS — CID 143981627

IUPAC3-(2-aminoethoxy)-N-propan-2-ylsulfanylaniline
SMILESCC(C)SNc1cccc(OCCN)c1
InChIInChI=1S/C11H18N2OS/c1-9(2)15-13-10-4-3-5-11(8-10)14-7-6-12/h3-5,8-9,13H,6-7,12H2,1-2H3
InChIKeyXQYHCKBWHBCBKG-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.49
Rot. Bonds6

About 3-(2-aminoethoxy)-N-propan-2-ylsulfanylaniline

3-(2-aminoethoxy)-N-propan-2-ylsulfanylaniline (PubChem CID 143981627) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-N-propan-2-ylsulfanylaniline.

Molecular Properties

Compound Name3-(2-aminoethoxy)-N-propan-2-ylsulfanylaniline
PubChem CID143981627
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name3-(2-aminoethoxy)-N-propan-2-ylsulfanylaniline
SMILESCC(C)SNc1cccc(OCCN)c1
InChIInChI=1S/C11H18N2OS/c1-9(2)15-13-10-4-3-5-11(8-10)14-7-6-12/h3-5,8-9,13H,6-7,12H2,1-2H3
InChIKeyXQYHCKBWHBCBKG-UHFFFAOYSA-N
XLogP2.49
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-(3-methylbutoxy)phenoxy]ethanamine
CID 25256004
N-[3-(2-aminoethoxy)phenyl]ethanesulfonamide
CID 28755028
2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride
CID 178200701
N-[3-(2-aminoethoxy)phenyl]-2-methylpentanamide
CID 43369471
2-[[3-(2-aminoethoxy)phenyl]sulfamoyl]propanoic acid
CID 63120963
N-[3-(2-aminoethoxy)phenyl]-4,6-dimethylpyrimidin-2-amine
CID 63121057
1-[3-(2-aminoethoxy)phenoxy]propan-2-ol
CID 71018405
3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea
CID 79154063
N-[3-(2-aminoethoxy)phenyl]-2-propylpentanamide
CID 82984960
N-[3-(2-aminoethoxy)phenyl]-2-methoxyacetamide
CID 61277360
N-[3-(2-aminoethoxy)phenyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114787066
N-[3-(2-aminoethoxy)phenyl]-3-bromo-5-methylpyridin-2-amine
CID 105367304

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-N-propan-2-ylsulfanylaniline?
The IUPAC name of 3-(2-aminoethoxy)-N-propan-2-ylsulfanylaniline (CID 143981627) is 3-(2-aminoethoxy)-N-propan-2-ylsulfanylaniline.
What is the SMILES notation for 3-(2-aminoethoxy)-N-propan-2-ylsulfanylaniline?
The canonical SMILES for 3-(2-aminoethoxy)-N-propan-2-ylsulfanylaniline is CC(C)SNc1cccc(OCCN)c1.
What is the InChIKey of 3-(2-aminoethoxy)-N-propan-2-ylsulfanylaniline?
The InChIKey is XQYHCKBWHBCBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9(2)15-13-10-4-3-5-11(8-10)14-7-6-12/h3-5,8-9,13H,6-7,12H2,1-2H3.
What are the key properties of 3-(2-aminoethoxy)-N-propan-2-ylsulfanylaniline?
3-(2-aminoethoxy)-N-propan-2-ylsulfanylaniline has a molecular weight of 226.34 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-N-propan-2-ylsulfanylaniline is sourced from PubChem (CID 143981627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).