2-(benzenesulfinyl)-1-(4-ethylphenyl)propan-1-amine

C17H21NOS — CID 64660013

IUPAC2-(benzenesulfinyl)-1-(4-ethylphenyl)propan-1-amine
SMILESCCc1ccc(C(N)C(C)S(=O)c2ccccc2)cc1
InChIInChI=1S/C17H21NOS/c1-3-14-9-11-15(12-10-14)17(18)13(2)20(19)16-7-5-4-6-8-16/h4-13,17H,3,18H2,1-2H3
InChIKeyZQJHKYNLEFLYCB-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.45
Rot. Bonds5

About 2-(benzenesulfinyl)-1-(4-ethylphenyl)propan-1-amine

2-(benzenesulfinyl)-1-(4-ethylphenyl)propan-1-amine (PubChem CID 64660013) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-(benzenesulfinyl)-1-(4-ethylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(benzenesulfinyl)-1-(4-ethylphenyl)propan-1-amine
PubChem CID64660013
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name2-(benzenesulfinyl)-1-(4-ethylphenyl)propan-1-amine
SMILESCCc1ccc(C(N)C(C)S(=O)c2ccccc2)cc1
InChIInChI=1S/C17H21NOS/c1-3-14-9-11-15(12-10-14)17(18)13(2)20(19)16-7-5-4-6-8-16/h4-13,17H,3,18H2,1-2H3
InChIKeyZQJHKYNLEFLYCB-UHFFFAOYSA-N
XLogP3.45
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-amine
CID 64657896
1-(4-ethylphenyl)-2-(2-fluorophenyl)sulfinylpropan-1-amine
CID 64658519
1-(4-ethylphenyl)-2-pentylsulfinylpropan-1-amine
CID 107758744
2-(3-bromophenyl)sulfinyl-1-phenylpropan-1-amine
CID 64659944
2-[1-amino-1-(4-ethylphenyl)propan-2-yl]sulfinylacetamide
CID 114232001
2-(benzenesulfonyl)-1-(4-ethylphenyl)propan-1-amine
CID 62918394
2-(3-methoxyphenyl)sulfinyl-1-phenylpropan-1-amine
CID 64658938
1-ethyl-4-[(R)-propan-2-ylsulfinyl]benzene
CID 146269856
1-(4-ethylphenyl)-2-(3-methoxypropylsulfinyl)propan-1-amine
CID 64658616
(1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol
CID 93284110
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
1-(4-ethylphenyl)-2-methylpropane-1,3-diamine
CID 116933036

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)-1-(4-ethylphenyl)propan-1-amine?
The IUPAC name of 2-(benzenesulfinyl)-1-(4-ethylphenyl)propan-1-amine (CID 64660013) is 2-(benzenesulfinyl)-1-(4-ethylphenyl)propan-1-amine.
What is the SMILES notation for 2-(benzenesulfinyl)-1-(4-ethylphenyl)propan-1-amine?
The canonical SMILES for 2-(benzenesulfinyl)-1-(4-ethylphenyl)propan-1-amine is CCc1ccc(C(N)C(C)S(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(benzenesulfinyl)-1-(4-ethylphenyl)propan-1-amine?
The InChIKey is ZQJHKYNLEFLYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-3-14-9-11-15(12-10-14)17(18)13(2)20(19)16-7-5-4-6-8-16/h4-13,17H,3,18H2,1-2H3.
What are the key properties of 2-(benzenesulfinyl)-1-(4-ethylphenyl)propan-1-amine?
2-(benzenesulfinyl)-1-(4-ethylphenyl)propan-1-amine has a molecular weight of 287.43 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)-1-(4-ethylphenyl)propan-1-amine is sourced from PubChem (CID 64660013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).