3-methyl-1-phenylbutan-1-amine

C11H17N — CID 4961833

IUPAC3-methyl-1-phenylbutan-1-amine
SMILESCC(C)CC(N)c1ccccc1
InChIInChI=1S/C11H17N/c1-9(2)8-11(12)10-6-4-3-5-7-10/h3-7,9,11H,8,12H2,1-2H3
InChIKeyZTLDKBMTEANJRD-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.73
Rot. Bonds3

About 3-methyl-1-phenylbutan-1-amine

3-methyl-1-phenylbutan-1-amine (PubChem CID 4961833) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 3-methyl-1-phenylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-1-phenylbutan-1-amine
PubChem CID4961833
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name3-methyl-1-phenylbutan-1-amine
SMILESCC(C)CC(N)c1ccccc1
InChIInChI=1S/C11H17N/c1-9(2)8-11(12)10-6-4-3-5-7-10/h3-7,9,11H,8,12H2,1-2H3
InChIKeyZTLDKBMTEANJRD-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenylbutan-1-amine?
The IUPAC name of 3-methyl-1-phenylbutan-1-amine (CID 4961833) is 3-methyl-1-phenylbutan-1-amine.
What is the SMILES notation for 3-methyl-1-phenylbutan-1-amine?
The canonical SMILES for 3-methyl-1-phenylbutan-1-amine is CC(C)CC(N)c1ccccc1.
What is the InChIKey of 3-methyl-1-phenylbutan-1-amine?
The InChIKey is ZTLDKBMTEANJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-9(2)8-11(12)10-6-4-3-5-7-10/h3-7,9,11H,8,12H2,1-2H3.
What are the key properties of 3-methyl-1-phenylbutan-1-amine?
3-methyl-1-phenylbutan-1-amine has a molecular weight of 163.26 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenylbutan-1-amine is sourced from PubChem (CID 4961833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).