(2R)-3-methyl-1-phenylbutan-2-amine

C11H17N — CID 11390020

IUPAC(2R)-3-methyl-1-phenylbutan-2-amine
SMILESCC(C)[C@H](N)Cc1ccccc1
InChIInChI=1S/C11H17N/c1-9(2)11(12)8-10-6-4-3-5-7-10/h3-7,9,11H,8,12H2,1-2H3/t11-/m1/s1
InChIKeyAKXXBEHEYPLJPX-LLVKDONJSA-N
MW163.26 g/mol
LogP2.21
Rot. Bonds3

About (2R)-3-methyl-1-phenylbutan-2-amine

(2R)-3-methyl-1-phenylbutan-2-amine (PubChem CID 11390020) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (2R)-3-methyl-1-phenylbutan-2-amine.

Molecular Properties

Compound Name(2R)-3-methyl-1-phenylbutan-2-amine
PubChem CID11390020
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(2R)-3-methyl-1-phenylbutan-2-amine
SMILESCC(C)[C@H](N)Cc1ccccc1
InChIInChI=1S/C11H17N/c1-9(2)11(12)8-10-6-4-3-5-7-10/h3-7,9,11H,8,12H2,1-2H3/t11-/m1/s1
InChIKeyAKXXBEHEYPLJPX-LLVKDONJSA-N
XLogP2.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-4-phenylbutane-1,3-diamine
CID 20848308
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
azane;1-phenylpropan-2-amine
CID 67350534
1-(4-chlorophenyl)-3-methylbutan-2-amine
CID 50986534
(2S,3R)-2-amino-4,4-dimethyl-1-phenylpentan-3-ol
CID 101132105
potassium;1-phenylpropan-2-amine;iodide
CID 70390373
4-methoxy-3-methyl-1-phenylbutan-2-amine
CID 115625025
(2-benzyl-3-methylbutyl)benzene
CID 22277918
2,3-dimethylbutylbenzene
CID 12054035
1-N,4-dimethyl-1-N-(1-phenylpropan-2-yl)pentane-1,3-diamine
CID 113285453
4-(2-amino-3-methylbutyl)-N,N-dimethylaniline
CID 115347408
(2S,3R,4S)-2-amino-6-methyl-1-phenylheptane-3,4-diol
CID 10585964

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-1-phenylbutan-2-amine?
The IUPAC name of (2R)-3-methyl-1-phenylbutan-2-amine (CID 11390020) is (2R)-3-methyl-1-phenylbutan-2-amine.
What is the SMILES notation for (2R)-3-methyl-1-phenylbutan-2-amine?
The canonical SMILES for (2R)-3-methyl-1-phenylbutan-2-amine is CC(C)[C@H](N)Cc1ccccc1.
What is the InChIKey of (2R)-3-methyl-1-phenylbutan-2-amine?
The InChIKey is AKXXBEHEYPLJPX-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17N/c1-9(2)11(12)8-10-6-4-3-5-7-10/h3-7,9,11H,8,12H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-3-methyl-1-phenylbutan-2-amine?
(2R)-3-methyl-1-phenylbutan-2-amine has a molecular weight of 163.26 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-1-phenylbutan-2-amine is sourced from PubChem (CID 11390020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).