2-methyl-4-phenylbutan-2-amine

C11H17N — CID 12851223

IUPAC2-methyl-4-phenylbutan-2-amine
SMILESCC(C)(N)CCc1ccccc1
InChIInChI=1S/C11H17N/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-7H,8-9,12H2,1-2H3
InChIKeyPRJWYFPDHWJLEV-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.36
Rot. Bonds3

About 2-methyl-4-phenylbutan-2-amine

2-methyl-4-phenylbutan-2-amine (PubChem CID 12851223) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 2-methyl-4-phenylbutan-2-amine.

Molecular Properties

Compound Name2-methyl-4-phenylbutan-2-amine
PubChem CID12851223
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name2-methyl-4-phenylbutan-2-amine
SMILESCC(C)(N)CCc1ccccc1
InChIInChI=1S/C11H17N/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-7H,8-9,12H2,1-2H3
InChIKeyPRJWYFPDHWJLEV-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenylbutan-2-amine?
The IUPAC name of 2-methyl-4-phenylbutan-2-amine (CID 12851223) is 2-methyl-4-phenylbutan-2-amine.
What is the SMILES notation for 2-methyl-4-phenylbutan-2-amine?
The canonical SMILES for 2-methyl-4-phenylbutan-2-amine is CC(C)(N)CCc1ccccc1.
What is the InChIKey of 2-methyl-4-phenylbutan-2-amine?
The InChIKey is PRJWYFPDHWJLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-7H,8-9,12H2,1-2H3.
What are the key properties of 2-methyl-4-phenylbutan-2-amine?
2-methyl-4-phenylbutan-2-amine has a molecular weight of 163.26 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenylbutan-2-amine is sourced from PubChem (CID 12851223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).