N-ethyl-3-(2-fluorophenyl)sulfinylbutan-2-amine

C12H18FNOS — CID 64657749

IUPACN-ethyl-3-(2-fluorophenyl)sulfinylbutan-2-amine
SMILESCCNC(C)C(C)S(=O)c1ccccc1F
InChIInChI=1S/C12H18FNOS/c1-4-14-9(2)10(3)16(15)12-8-6-5-7-11(12)13/h5-10,14H,4H2,1-3H3
InChIKeyRFSUFTDQEXNDTL-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.32
Rot. Bonds5

About N-ethyl-3-(2-fluorophenyl)sulfinylbutan-2-amine

N-ethyl-3-(2-fluorophenyl)sulfinylbutan-2-amine (PubChem CID 64657749) has the molecular formula C12H18FNOS and a molecular weight of 243.35 g/mol. Its IUPAC name is N-ethyl-3-(2-fluorophenyl)sulfinylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-fluorophenyl)sulfinylbutan-2-amine
PubChem CID64657749
Molecular FormulaC12H18FNOS
Molecular Weight243.35 g/mol
Exact Mass243.11
IUPAC NameN-ethyl-3-(2-fluorophenyl)sulfinylbutan-2-amine
SMILESCCNC(C)C(C)S(=O)c1ccccc1F
InChIInChI=1S/C12H18FNOS/c1-4-14-9(2)10(3)16(15)12-8-6-5-7-11(12)13/h5-10,14H,4H2,1-3H3
InChIKeyRFSUFTDQEXNDTL-UHFFFAOYSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)sulfinyl-N-methylpentan-3-amine
CID 64657553
2-(2-fluorophenyl)sulfinylpropan-1-amine
CID 81328823
1-(4-ethylphenyl)-2-(2-fluorophenyl)sulfinylpropan-1-amine
CID 64658519
N-ethyl-2-(2-methylphenyl)sulfinylpentan-3-amine
CID 64656582
1-(2-fluorophenyl)sulfinyl-N-propylbutan-2-amine
CID 64657563
N-ethyl-3-(2-fluorophenyl)sulfanylbutan-2-amine
CID 64621445
2-(2-fluorophenyl)sulfinyl-N-phenylpropanamide
CID 63792456
1-fluoro-2-propylsulfinylbenzene
CID 64717305
1-(ethylamino)-3-(2-fluorophenyl)sulfinylpropan-2-ol
CID 115476910
2-(2-fluorophenyl)sulfinyl-N-(3-methoxypropyl)propanamide
CID 63791051
N-ethyl-4-(2-methylphenyl)sulfinylpentan-2-amine
CID 64704016
1-(2-fluorophenyl)sulfinylbutan-2-amine
CID 64658337

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-fluorophenyl)sulfinylbutan-2-amine?
The IUPAC name of N-ethyl-3-(2-fluorophenyl)sulfinylbutan-2-amine (CID 64657749) is N-ethyl-3-(2-fluorophenyl)sulfinylbutan-2-amine.
What is the SMILES notation for N-ethyl-3-(2-fluorophenyl)sulfinylbutan-2-amine?
The canonical SMILES for N-ethyl-3-(2-fluorophenyl)sulfinylbutan-2-amine is CCNC(C)C(C)S(=O)c1ccccc1F.
What is the InChIKey of N-ethyl-3-(2-fluorophenyl)sulfinylbutan-2-amine?
The InChIKey is RFSUFTDQEXNDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNOS/c1-4-14-9(2)10(3)16(15)12-8-6-5-7-11(12)13/h5-10,14H,4H2,1-3H3.
What are the key properties of N-ethyl-3-(2-fluorophenyl)sulfinylbutan-2-amine?
N-ethyl-3-(2-fluorophenyl)sulfinylbutan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-fluorophenyl)sulfinylbutan-2-amine is sourced from PubChem (CID 64657749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).