2-(2-methylpropylsulfonyl)-1-(4-propan-2-yloxyphenyl)ethanamine

C15H25NO3S — CID 64646414

IUPAC2-(2-methylpropylsulfonyl)-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)CS(=O)(=O)CC(N)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H25NO3S/c1-11(2)9-20(17,18)10-15(16)13-5-7-14(8-6-13)19-12(3)4/h5-8,11-12,15H,9-10,16H2,1-4H3
InChIKeyZGBSRNLLSAGIGZ-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.54
Rot. Bonds7

About 2-(2-methylpropylsulfonyl)-1-(4-propan-2-yloxyphenyl)ethanamine

2-(2-methylpropylsulfonyl)-1-(4-propan-2-yloxyphenyl)ethanamine (PubChem CID 64646414) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-(2-methylpropylsulfonyl)-1-(4-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-methylpropylsulfonyl)-1-(4-propan-2-yloxyphenyl)ethanamine
PubChem CID64646414
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name2-(2-methylpropylsulfonyl)-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)CS(=O)(=O)CC(N)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H25NO3S/c1-11(2)9-20(17,18)10-15(16)13-5-7-14(8-6-13)19-12(3)4/h5-8,11-12,15H,9-10,16H2,1-4H3
InChIKeyZGBSRNLLSAGIGZ-UHFFFAOYSA-N
XLogP2.54
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylsulfonyl-1-(4-methoxyphenyl)ethanamine
CID 64646771
(1S)-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230356
2-(3-methylbutoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43184192
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
(1R)-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine
CID 171210758
ethyl 3-amino-3-(4-propan-2-yloxyphenyl)propanoate
CID 4201753
(1R)-4,4,4-trifluoro-1-(4-propan-2-yloxyphenyl)butan-1-amine
CID 171210773
N',N'-diethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 16781981
(1S)-2-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride
CID 171230371
(1S)-1-(4-propan-2-yloxyphenyl)but-3-en-1-amine;hydrochloride
CID 171230366
methyl 4-amino-2,2-dimethyl-4-(4-propan-2-yloxyphenyl)butanoate
CID 65298635
2-heptoxy-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43127517

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfonyl)-1-(4-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of 2-(2-methylpropylsulfonyl)-1-(4-propan-2-yloxyphenyl)ethanamine (CID 64646414) is 2-(2-methylpropylsulfonyl)-1-(4-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for 2-(2-methylpropylsulfonyl)-1-(4-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for 2-(2-methylpropylsulfonyl)-1-(4-propan-2-yloxyphenyl)ethanamine is CC(C)CS(=O)(=O)CC(N)c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-(2-methylpropylsulfonyl)-1-(4-propan-2-yloxyphenyl)ethanamine?
The InChIKey is ZGBSRNLLSAGIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-11(2)9-20(17,18)10-15(16)13-5-7-14(8-6-13)19-12(3)4/h5-8,11-12,15H,9-10,16H2,1-4H3.
What are the key properties of 2-(2-methylpropylsulfonyl)-1-(4-propan-2-yloxyphenyl)ethanamine?
2-(2-methylpropylsulfonyl)-1-(4-propan-2-yloxyphenyl)ethanamine has a molecular weight of 299.44 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfonyl)-1-(4-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 64646414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).