N-(2-methyl-2-methylsulfonylpropyl)-4-phenylbutan-2-amine

C15H25NO2S — CID 79551723

IUPACN-(2-methyl-2-methylsulfonylpropyl)-4-phenylbutan-2-amine
SMILESCC(CCc1ccccc1)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C15H25NO2S/c1-13(10-11-14-8-6-5-7-9-14)16-12-15(2,3)19(4,17)18/h5-9,13,16H,10-12H2,1-4H3
InChIKeyVTRJBURLPFVLTK-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.42
Rot. Bonds7

About N-(2-methyl-2-methylsulfonylpropyl)-4-phenylbutan-2-amine

N-(2-methyl-2-methylsulfonylpropyl)-4-phenylbutan-2-amine (PubChem CID 79551723) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfonylpropyl)-4-phenylbutan-2-amine.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfonylpropyl)-4-phenylbutan-2-amine
PubChem CID79551723
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-(2-methyl-2-methylsulfonylpropyl)-4-phenylbutan-2-amine
SMILESCC(CCc1ccccc1)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C15H25NO2S/c1-13(10-11-14-8-6-5-7-9-14)16-12-15(2,3)19(4,17)18/h5-9,13,16H,10-12H2,1-4H3
InChIKeyVTRJBURLPFVLTK-UHFFFAOYSA-N
XLogP2.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-(4-phenylbutan-2-ylamino)propan-1-ol
CID 81413862
2-methyl-2-[(4-phenylbutan-2-ylamino)methyl]butan-1-ol
CID 81411110
2-methyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol
CID 103729692
N-(2-methyl-2-thiophen-2-ylpropyl)-4-phenylbutan-2-amine
CID 78963724
4-methyl-4-methylsulfonyl-1-phenylpentan-3-amine
CID 115794021
2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylacetamide
CID 93035071
2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 51374320
2-methyl-3-(4-phenylbutan-2-ylamino)propan-1-ol
CID 65037471
N-ethyl-N-[3-(4-phenylbutan-2-ylamino)propyl]methanesulfonamide
CID 61014351
4,4-dimethyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol
CID 103729747
N-[(2-methylcyclopropyl)methyl]-4-phenylbutan-2-amine
CID 115676382
4-phenylbutan-2-ylhydrazine
CID 28622

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)-4-phenylbutan-2-amine?
The IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)-4-phenylbutan-2-amine (CID 79551723) is N-(2-methyl-2-methylsulfonylpropyl)-4-phenylbutan-2-amine.
What is the SMILES notation for N-(2-methyl-2-methylsulfonylpropyl)-4-phenylbutan-2-amine?
The canonical SMILES for N-(2-methyl-2-methylsulfonylpropyl)-4-phenylbutan-2-amine is CC(CCc1ccccc1)NCC(C)(C)S(C)(=O)=O.
What is the InChIKey of N-(2-methyl-2-methylsulfonylpropyl)-4-phenylbutan-2-amine?
The InChIKey is VTRJBURLPFVLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-13(10-11-14-8-6-5-7-9-14)16-12-15(2,3)19(4,17)18/h5-9,13,16H,10-12H2,1-4H3.
What are the key properties of N-(2-methyl-2-methylsulfonylpropyl)-4-phenylbutan-2-amine?
N-(2-methyl-2-methylsulfonylpropyl)-4-phenylbutan-2-amine has a molecular weight of 283.44 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-methylsulfonylpropyl)-4-phenylbutan-2-amine is sourced from PubChem (CID 79551723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).