2-(4-fluorophenyl)-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine

C15H24FNO2S — CID 79437459

IUPAC2-(4-fluorophenyl)-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine
SMILESCC(C)CNCC(CCS(C)(=O)=O)c1ccc(F)cc1
InChIInChI=1S/C15H24FNO2S/c1-12(2)10-17-11-14(8-9-20(3,18)19)13-4-6-15(16)7-5-13/h4-7,12,14,17H,8-11H2,1-3H3
InChIKeySIGBTCHWLQSHGS-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.59
Rot. Bonds8

About 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine

2-(4-fluorophenyl)-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine (PubChem CID 79437459) has the molecular formula C15H24FNO2S and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine
PubChem CID79437459
Molecular FormulaC15H24FNO2S
Molecular Weight301.43 g/mol
Exact Mass301.15
IUPAC Name2-(4-fluorophenyl)-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine
SMILESCC(C)CNCC(CCS(C)(=O)=O)c1ccc(F)cc1
InChIInChI=1S/C15H24FNO2S/c1-12(2)10-17-11-14(8-9-20(3,18)19)13-4-6-15(16)7-5-13/h4-7,12,14,17H,8-11H2,1-3H3
InChIKeySIGBTCHWLQSHGS-UHFFFAOYSA-N
XLogP2.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine
CID 79441196
2-(4-fluorophenyl)-4-methylsulfonylbutan-1-ol
CID 79437654
2-(4-fluorophenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine
CID 79437882
2-(4-fluorophenyl)-5-methoxy-N-(2-methylpropyl)pentan-1-amine
CID 79437714
2-(4-fluorophenyl)-4-propan-2-ylsulfonyl-N-propylbutan-1-amine
CID 106730175
2-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-N-(2-methylpropyl)butan-1-amine
CID 115943448
4-tert-butylsulfonyl-N-ethyl-2-(4-fluorophenyl)butan-1-amine
CID 106730134
1-(4-fluorophenyl)-3-methylsulfonylpropan-1-ol
CID 62606467
N-[2-(4-fluorophenyl)-3-thiophen-2-ylpropyl]-2-methylpropan-1-amine
CID 79437960
1-(4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 54594094
N-[(2S)-2-(4-fluorophenyl)-4-hydroxybutyl]methanesulfonamide
CID 69436440
2-amino-N-[1-(4-fluorophenyl)ethyl]-4-methylsulfonylbutanamide
CID 61249769

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine (CID 79437459) is 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine is CC(C)CNCC(CCS(C)(=O)=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine?
The InChIKey is SIGBTCHWLQSHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2S/c1-12(2)10-17-11-14(8-9-20(3,18)19)13-4-6-15(16)7-5-13/h4-7,12,14,17H,8-11H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine?
2-(4-fluorophenyl)-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine has a molecular weight of 301.43 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine is sourced from PubChem (CID 79437459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).