2-(3-methylbutan-2-ylsulfonyl)-1-[4-(2-methylpropyl)phenyl]ethanamine

C17H29NO2S — CID 107759222

IUPAC2-(3-methylbutan-2-ylsulfonyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
SMILESCC(C)Cc1ccc(C(N)CS(=O)(=O)C(C)C(C)C)cc1
InChIInChI=1S/C17H29NO2S/c1-12(2)10-15-6-8-16(9-7-15)17(18)11-21(19,20)14(5)13(3)4/h6-9,12-14,17H,10-11,18H2,1-5H3
InChIKeyUNZZGLUNDMPSAD-UHFFFAOYSA-N
MW311.49 g/mol
LogP3.34
Rot. Bonds7

About 2-(3-methylbutan-2-ylsulfonyl)-1-[4-(2-methylpropyl)phenyl]ethanamine

2-(3-methylbutan-2-ylsulfonyl)-1-[4-(2-methylpropyl)phenyl]ethanamine (PubChem CID 107759222) has the molecular formula C17H29NO2S and a molecular weight of 311.49 g/mol. Its IUPAC name is 2-(3-methylbutan-2-ylsulfonyl)-1-[4-(2-methylpropyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(3-methylbutan-2-ylsulfonyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
PubChem CID107759222
Molecular FormulaC17H29NO2S
Molecular Weight311.49 g/mol
Exact Mass311.19
IUPAC Name2-(3-methylbutan-2-ylsulfonyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
SMILESCC(C)Cc1ccc(C(N)CS(=O)(=O)C(C)C(C)C)cc1
InChIInChI=1S/C17H29NO2S/c1-12(2)10-15-6-8-16(9-7-15)17(18)11-21(19,20)14(5)13(3)4/h6-9,12-14,17H,10-11,18H2,1-5H3
InChIKeyUNZZGLUNDMPSAD-UHFFFAOYSA-N
XLogP3.34
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.49
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxypropylsulfonyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 64674466
(3R)-3-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 940967
2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 43093450
2-methoxy-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 16786344
N'-methyl-N'-(2-methylpropyl)-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 43272065
sodium (2S)-2-[4-(2-methylpropyl)phenyl]propane-1-sulfonate
CID 139750072
1-[4-(2-methylpropyl)phenyl]-3-methylsulfanylpropan-1-amine
CID 116831500
3-amino-3-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 116848740
methyl (3S)-3-amino-3-[4-(2-methylpropyl)phenyl]propanoate
CID 79018358
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
N-[4-(2-methylpropyl)phenyl]ethanesulfonamide
CID 110776672
(5S)-5-amino-5-[4-(2-methylpropyl)phenyl]pentanoic acid
CID 28931162

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-ylsulfonyl)-1-[4-(2-methylpropyl)phenyl]ethanamine?
The IUPAC name of 2-(3-methylbutan-2-ylsulfonyl)-1-[4-(2-methylpropyl)phenyl]ethanamine (CID 107759222) is 2-(3-methylbutan-2-ylsulfonyl)-1-[4-(2-methylpropyl)phenyl]ethanamine.
What is the SMILES notation for 2-(3-methylbutan-2-ylsulfonyl)-1-[4-(2-methylpropyl)phenyl]ethanamine?
The canonical SMILES for 2-(3-methylbutan-2-ylsulfonyl)-1-[4-(2-methylpropyl)phenyl]ethanamine is CC(C)Cc1ccc(C(N)CS(=O)(=O)C(C)C(C)C)cc1.
What is the InChIKey of 2-(3-methylbutan-2-ylsulfonyl)-1-[4-(2-methylpropyl)phenyl]ethanamine?
The InChIKey is UNZZGLUNDMPSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2S/c1-12(2)10-15-6-8-16(9-7-15)17(18)11-21(19,20)14(5)13(3)4/h6-9,12-14,17H,10-11,18H2,1-5H3.
What are the key properties of 2-(3-methylbutan-2-ylsulfonyl)-1-[4-(2-methylpropyl)phenyl]ethanamine?
2-(3-methylbutan-2-ylsulfonyl)-1-[4-(2-methylpropyl)phenyl]ethanamine has a molecular weight of 311.49 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-ylsulfonyl)-1-[4-(2-methylpropyl)phenyl]ethanamine is sourced from PubChem (CID 107759222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).