(2R)-N-[[4-(2-methylpropyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine

C15H25NO2S — CID 97053957

IUPAC(2R)-N-[[4-(2-methylpropyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine
SMILESCC(C)Cc1ccc(CN[C@H](C)CS(C)(=O)=O)cc1
InChIInChI=1S/C15H25NO2S/c1-12(2)9-14-5-7-15(8-6-14)10-16-13(3)11-19(4,17)18/h5-8,12-13,16H,9-11H2,1-4H3/t13-/m1/s1
InChIKeyBJESVESTYPJXCZ-CYBMUJFWSA-N
MW283.44 g/mol
LogP2.41
Rot. Bonds7

About (2R)-N-[[4-(2-methylpropyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine

(2R)-N-[[4-(2-methylpropyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine (PubChem CID 97053957) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is (2R)-N-[[4-(2-methylpropyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound Name(2R)-N-[[4-(2-methylpropyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine
PubChem CID97053957
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name(2R)-N-[[4-(2-methylpropyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine
SMILESCC(C)Cc1ccc(CN[C@H](C)CS(C)(=O)=O)cc1
InChIInChI=1S/C15H25NO2S/c1-12(2)9-14-5-7-15(8-6-14)10-16-13(3)11-19(4,17)18/h5-8,12-13,16H,9-11H2,1-4H3/t13-/m1/s1
InChIKeyBJESVESTYPJXCZ-CYBMUJFWSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[[4-(2-methylpropyl)phenyl]methyl]butan-2-amine
CID 94682877
N-[(3,4-dibromophenyl)methyl]-1-methylsulfonylpropan-2-amine
CID 115693206
1-methylsulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propan-2-amine
CID 64629153
N-[(3-bromo-4-chlorophenyl)methyl]-1-methylsulfonylpropan-2-amine
CID 83236108
N-(1,3-benzodioxol-5-ylmethyl)-1-methylsulfonylpropan-2-amine
CID 64631127
1-ethylsulfonyl-N-[(4-fluorophenyl)methyl]propan-2-amine
CID 115626076
1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine
CID 101376934
N-[(4-chloro-3-nitrophenyl)methyl]-1-methylsulfonylpropan-2-amine
CID 78960354
N-[(4-methylsulfonylphenyl)methyl]butan-2-amine
CID 61068227
[5-[(1-methylsulfonylpropan-2-ylamino)methyl]furan-2-yl]methanol
CID 64631010
N-[2-ethylsulfonyl-1-[4-(2-methylpropyl)phenyl]ethyl]propan-1-amine
CID 64645191
N-[[2-(methoxymethyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine
CID 64630766

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[4-(2-methylpropyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine?
The IUPAC name of (2R)-N-[[4-(2-methylpropyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine (CID 97053957) is (2R)-N-[[4-(2-methylpropyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine.
What is the SMILES notation for (2R)-N-[[4-(2-methylpropyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine?
The canonical SMILES for (2R)-N-[[4-(2-methylpropyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine is CC(C)Cc1ccc(CN[C@H](C)CS(C)(=O)=O)cc1.
What is the InChIKey of (2R)-N-[[4-(2-methylpropyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine?
The InChIKey is BJESVESTYPJXCZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-12(2)9-14-5-7-15(8-6-14)10-16-13(3)11-19(4,17)18/h5-8,12-13,16H,9-11H2,1-4H3/t13-/m1/s1.
What are the key properties of (2R)-N-[[4-(2-methylpropyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine?
(2R)-N-[[4-(2-methylpropyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine has a molecular weight of 283.44 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[4-(2-methylpropyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 97053957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).