2-methyl-3-phenylbutan-2-amine

C11H17N — CID 22031

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IUPAC2-methyl-3-phenylbutan-2-amine
SMILESCC(c1ccccc1)C(C)(C)N
InChIInChI=1S/C11H17N/c1-9(11(2,3)12)10-7-5-4-6-8-10/h4-9H,12H2,1-3H3
InChIKeyUMWAUEZOGHNSCH-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.53
Rot. Bonds2

About 2-methyl-3-phenylbutan-2-amine

2-methyl-3-phenylbutan-2-amine (PubChem CID 22031) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 2-methyl-3-phenylbutan-2-amine.

Molecular Properties

Compound Name2-methyl-3-phenylbutan-2-amine
PubChem CID22031
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name2-methyl-3-phenylbutan-2-amine
SMILESCC(c1ccccc1)C(C)(C)N
InChIInChI=1S/C11H17N/c1-9(11(2,3)12)10-7-5-4-6-8-10/h4-9H,12H2,1-3H3
InChIKeyUMWAUEZOGHNSCH-UHFFFAOYSA-N
XLogP2.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Phentermine
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(-)-Amphetamine
CID 32893
Phentermine Hydrochloride
CID 70969
(1R,2S)-Tranylcypromine
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2-Phenylpropylamine
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Phenpromethamine
CID 22276
1-Phenylcyclohexylamine
CID 31862

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenylbutan-2-amine?
The IUPAC name of 2-methyl-3-phenylbutan-2-amine (CID 22031) is 2-methyl-3-phenylbutan-2-amine.
What is the SMILES notation for 2-methyl-3-phenylbutan-2-amine?
The canonical SMILES for 2-methyl-3-phenylbutan-2-amine is CC(c1ccccc1)C(C)(C)N.
What is the InChIKey of 2-methyl-3-phenylbutan-2-amine?
The InChIKey is UMWAUEZOGHNSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-9(11(2,3)12)10-7-5-4-6-8-10/h4-9H,12H2,1-3H3.
What are the key properties of 2-methyl-3-phenylbutan-2-amine?
2-methyl-3-phenylbutan-2-amine has a molecular weight of 163.26 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenylbutan-2-amine is sourced from PubChem (CID 22031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).