2-[4-(benzenesulfinyl)phenoxy]ethanamine;hydrochloride

C14H16ClNO2S — CID 135364402

IUPAC2-[4-(benzenesulfinyl)phenoxy]ethanamine;hydrochloride
SMILESCl.NCCOc1ccc(S(=O)c2ccccc2)cc1
InChIInChI=1S/C14H15NO2S.ClH/c15-10-11-17-12-6-8-14(9-7-12)18(16)13-4-2-1-3-5-13;/h1-9H,10-11,15H2;1H
InChIKeyZJHTZKOACJZSPU-UHFFFAOYSA-N
MW297.81 g/mol
LogP2.61
Rot. Bonds5

About 2-[4-(benzenesulfinyl)phenoxy]ethanamine;hydrochloride

2-[4-(benzenesulfinyl)phenoxy]ethanamine;hydrochloride (PubChem CID 135364402) has the molecular formula C14H16ClNO2S and a molecular weight of 297.81 g/mol. Its IUPAC name is 2-[4-(benzenesulfinyl)phenoxy]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[4-(benzenesulfinyl)phenoxy]ethanamine;hydrochloride
PubChem CID135364402
Molecular FormulaC14H16ClNO2S
Molecular Weight297.81 g/mol
Exact Mass297.06
IUPAC Name2-[4-(benzenesulfinyl)phenoxy]ethanamine;hydrochloride
SMILESCl.NCCOc1ccc(S(=O)c2ccccc2)cc1
InChIInChI=1S/C14H15NO2S.ClH/c15-10-11-17-12-6-8-14(9-7-12)18(16)13-4-2-1-3-5-13;/h1-9H,10-11,15H2;1H
InChIKeyZJHTZKOACJZSPU-UHFFFAOYSA-N
XLogP2.61
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride
CID 46786149
1-(benzenesulfinyl)-4-[4-[4-(benzenesulfinyl)phenyl]sulfinylphenyl]sulfinylbenzene
CID 102303456
N-[4-(2-aminoethoxy)phenyl]-1-phenylmethanesulfonamide
CID 43369627
4-aminobenzoic acid;4-(2-aminoethoxy)benzoic acid
CID 157214876
2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride
CID 11680862
4-(2-fluoroethoxy)benzenesulfinic acid
CID 123969802
3-[4-(3-aminopropoxy)phenoxy]propan-1-amine
CID 3650737
1-(benzenesulfinyl)-4-fluorobenzene
CID 21200956
1-(2-fluoroethoxy)-4-methylsulfinylbenzene
CID 15058664
2-[4-[(E)-1-bromo-2-fluoro-2-phenylethenyl]phenoxy]ethanamine
CID 102111079
3-(3-phenoxypropylsulfinyl)butan-1-amine
CID 81195865
2-phenoxyethanamine;3-phenylpropanoyl chloride
CID 158990804

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfinyl)phenoxy]ethanamine;hydrochloride?
The IUPAC name of 2-[4-(benzenesulfinyl)phenoxy]ethanamine;hydrochloride (CID 135364402) is 2-[4-(benzenesulfinyl)phenoxy]ethanamine;hydrochloride.
What is the SMILES notation for 2-[4-(benzenesulfinyl)phenoxy]ethanamine;hydrochloride?
The canonical SMILES for 2-[4-(benzenesulfinyl)phenoxy]ethanamine;hydrochloride is Cl.NCCOc1ccc(S(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[4-(benzenesulfinyl)phenoxy]ethanamine;hydrochloride?
The InChIKey is ZJHTZKOACJZSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S.ClH/c15-10-11-17-12-6-8-14(9-7-12)18(16)13-4-2-1-3-5-13;/h1-9H,10-11,15H2;1H.
What are the key properties of 2-[4-(benzenesulfinyl)phenoxy]ethanamine;hydrochloride?
2-[4-(benzenesulfinyl)phenoxy]ethanamine;hydrochloride has a molecular weight of 297.81 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfinyl)phenoxy]ethanamine;hydrochloride is sourced from PubChem (CID 135364402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).