1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-amine

C17H20FNOS — CID 64657896

IUPAC1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-amine
SMILESCCc1ccc(C(N)C(C)S(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FNOS/c1-3-13-4-6-14(7-5-13)17(19)12(2)21(20)16-10-8-15(18)9-11-16/h4-12,17H,3,19H2,1-2H3
InChIKeyIZVRKNBNGVFQQE-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.58
Rot. Bonds5

About 1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-amine

1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-amine (PubChem CID 64657896) has the molecular formula C17H20FNOS and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-amine
PubChem CID64657896
Molecular FormulaC17H20FNOS
Molecular Weight305.42 g/mol
Exact Mass305.12
IUPAC Name1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-amine
SMILESCCc1ccc(C(N)C(C)S(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FNOS/c1-3-13-4-6-14(7-5-13)17(19)12(2)21(20)16-10-8-15(18)9-11-16/h4-12,17H,3,19H2,1-2H3
InChIKeyIZVRKNBNGVFQQE-UHFFFAOYSA-N
XLogP3.58
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzenesulfinyl)-1-(4-ethylphenyl)propan-1-amine
CID 64660013
1-(4-ethylphenyl)-2-(2-fluorophenyl)sulfinylpropan-1-amine
CID 64658519
1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-one
CID 64635745
1-ethyl-4-[(R)-propan-2-ylsulfinyl]benzene
CID 146269856
1-(4-ethylphenyl)-2-pentylsulfinylpropan-1-amine
CID 107758744
2-[1-amino-1-(4-ethylphenyl)propan-2-yl]sulfinylacetamide
CID 114232001
1-fluoro-4-[(1S)-1-[(R)-(4-fluorophenyl)sulfinyl]ethyl]benzene
CID 139197607
1-ethyl-4-[(4-fluorophenyl)sulfinylmethyl]benzene
CID 64715017
1-(4-ethylphenyl)-2-(3-methoxypropylsulfinyl)propan-1-amine
CID 64658616
N-[(1S)-1-(4-ethylphenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 94616414
1,2-bis(4-fluorophenyl)ethane-1,2-diamine;dihydrochloride
CID 53420253
(1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine
CID 131025596

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-amine (CID 64657896) is 1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-amine is CCc1ccc(C(N)C(C)S(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-amine?
The InChIKey is IZVRKNBNGVFQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNOS/c1-3-13-4-6-14(7-5-13)17(19)12(2)21(20)16-10-8-15(18)9-11-16/h4-12,17H,3,19H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-amine?
1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-amine has a molecular weight of 305.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-amine is sourced from PubChem (CID 64657896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).