1-(4-propan-2-ylphenyl)ethanamine

C11H17N — CID 3728039

IUPAC1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(C)N)cc1
InChIInChI=1S/C11H17N/c1-8(2)10-4-6-11(7-5-10)9(3)12/h4-9H,12H2,1-3H3
InChIKeyUHAQMLODFYUKOM-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.83
Rot. Bonds2

About 1-(4-propan-2-ylphenyl)ethanamine

1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 3728039) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)ethanamine
PubChem CID3728039
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(C)N)cc1
InChIInChI=1S/C11H17N/c1-8(2)10-4-6-11(7-5-10)9(3)12/h4-9H,12H2,1-3H3
InChIKeyUHAQMLODFYUKOM-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 1-(4-propan-2-ylphenyl)ethanamine (CID 3728039) is 1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 1-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(C(C)N)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is UHAQMLODFYUKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-8(2)10-4-6-11(7-5-10)9(3)12/h4-9H,12H2,1-3H3.
What are the key properties of 1-(4-propan-2-ylphenyl)ethanamine?
1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 163.26 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 3728039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).