2-(4-fluorophenyl)sulfinyl-N-methyl-1-phenylbutan-1-amine

C17H20FNOS — CID 64658287

IUPAC2-(4-fluorophenyl)sulfinyl-N-methyl-1-phenylbutan-1-amine
SMILESCCC(C(NC)c1ccccc1)S(=O)c1ccc(F)cc1
InChIInChI=1S/C17H20FNOS/c1-3-16(17(19-2)13-7-5-4-6-8-13)21(20)15-11-9-14(18)10-12-15/h4-12,16-17,19H,3H2,1-2H3
InChIKeyHUXAOQIVCXTDGB-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.67
Rot. Bonds6

About 2-(4-fluorophenyl)sulfinyl-N-methyl-1-phenylbutan-1-amine

2-(4-fluorophenyl)sulfinyl-N-methyl-1-phenylbutan-1-amine (PubChem CID 64658287) has the molecular formula C17H20FNOS and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfinyl-N-methyl-1-phenylbutan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfinyl-N-methyl-1-phenylbutan-1-amine
PubChem CID64658287
Molecular FormulaC17H20FNOS
Molecular Weight305.42 g/mol
Exact Mass305.12
IUPAC Name2-(4-fluorophenyl)sulfinyl-N-methyl-1-phenylbutan-1-amine
SMILESCCC(C(NC)c1ccccc1)S(=O)c1ccc(F)cc1
InChIInChI=1S/C17H20FNOS/c1-3-16(17(19-2)13-7-5-4-6-8-13)21(20)15-11-9-14(18)10-12-15/h4-12,16-17,19H,3H2,1-2H3
InChIKeyHUXAOQIVCXTDGB-UHFFFAOYSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-methyl-2-phenylbutan-1-amine
CID 43481338
2-butan-2-ylsulfinyl-N-methyl-1-phenylbutan-1-amine
CID 64653955
N-methyl-1-phenyl-2-propylsulfinylbutan-1-amine
CID 64651956
3-(4-fluorophenyl)sulfinyl-N-propylheptan-4-amine
CID 64657309
2-(4-methoxyphenyl)sulfinyl-1-phenylbutan-1-amine
CID 64657384
N-[2-(4-fluorophenyl)sulfinyl-1-phenylethyl]propan-1-amine
CID 64657503
2-ethylsulfinyl-N,3-dimethyl-1-phenylbutan-1-amine
CID 64650886
N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylpropan-1-amine
CID 64658471
2-(1,3-dihydroisoindol-2-yl)-N-methyl-1-phenylbutan-1-amine
CID 62205018
N-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-phenylbutan-1-amine
CID 106496380
3-(4-fluorophenyl)-2-[[(2S)-2-(methylamino)-2-phenylacetyl]amino]propanoic acid
CID 155171058
1-fluoro-4-[(1S)-1-[(R)-(4-fluorophenyl)sulfinyl]ethyl]benzene
CID 139197607

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfinyl-N-methyl-1-phenylbutan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)sulfinyl-N-methyl-1-phenylbutan-1-amine (CID 64658287) is 2-(4-fluorophenyl)sulfinyl-N-methyl-1-phenylbutan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)sulfinyl-N-methyl-1-phenylbutan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)sulfinyl-N-methyl-1-phenylbutan-1-amine is CCC(C(NC)c1ccccc1)S(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfinyl-N-methyl-1-phenylbutan-1-amine?
The InChIKey is HUXAOQIVCXTDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNOS/c1-3-16(17(19-2)13-7-5-4-6-8-13)21(20)15-11-9-14(18)10-12-15/h4-12,16-17,19H,3H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)sulfinyl-N-methyl-1-phenylbutan-1-amine?
2-(4-fluorophenyl)sulfinyl-N-methyl-1-phenylbutan-1-amine has a molecular weight of 305.42 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfinyl-N-methyl-1-phenylbutan-1-amine is sourced from PubChem (CID 64658287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).