3-[2,6-bis(2-methylbutan-2-yl)phenoxy]propan-1-amine

C19H33NO — CID 11460531

IUPAC3-[2,6-bis(2-methylbutan-2-yl)phenoxy]propan-1-amine
SMILESCCC(C)(C)c1cccc(C(C)(C)CC)c1OCCCN
InChIInChI=1S/C19H33NO/c1-7-18(3,4)15-11-9-12-16(19(5,6)8-2)17(15)21-14-10-13-20/h9,11-12H,7-8,10,13-14,20H2,1-6H3
InChIKeyDXDRHDVJRUVMGW-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.79
Rot. Bonds8

About 3-[2,6-bis(2-methylbutan-2-yl)phenoxy]propan-1-amine

3-[2,6-bis(2-methylbutan-2-yl)phenoxy]propan-1-amine (PubChem CID 11460531) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 3-[2,6-bis(2-methylbutan-2-yl)phenoxy]propan-1-amine.

Molecular Properties

Compound Name3-[2,6-bis(2-methylbutan-2-yl)phenoxy]propan-1-amine
PubChem CID11460531
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name3-[2,6-bis(2-methylbutan-2-yl)phenoxy]propan-1-amine
SMILESCCC(C)(C)c1cccc(C(C)(C)CC)c1OCCCN
InChIInChI=1S/C19H33NO/c1-7-18(3,4)15-11-9-12-16(19(5,6)8-2)17(15)21-14-10-13-20/h9,11-12H,7-8,10,13-14,20H2,1-6H3
InChIKeyDXDRHDVJRUVMGW-UHFFFAOYSA-N
XLogP4.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2,6-bis(2-methylbutan-2-yl)phenoxy]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-bis(2-methylbutan-2-yl)phenoxy]propan-1-amine?
The IUPAC name of 3-[2,6-bis(2-methylbutan-2-yl)phenoxy]propan-1-amine (CID 11460531) is 3-[2,6-bis(2-methylbutan-2-yl)phenoxy]propan-1-amine.
What is the SMILES notation for 3-[2,6-bis(2-methylbutan-2-yl)phenoxy]propan-1-amine?
The canonical SMILES for 3-[2,6-bis(2-methylbutan-2-yl)phenoxy]propan-1-amine is CCC(C)(C)c1cccc(C(C)(C)CC)c1OCCCN.
What is the InChIKey of 3-[2,6-bis(2-methylbutan-2-yl)phenoxy]propan-1-amine?
The InChIKey is DXDRHDVJRUVMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-7-18(3,4)15-11-9-12-16(19(5,6)8-2)17(15)21-14-10-13-20/h9,11-12H,7-8,10,13-14,20H2,1-6H3.
What are the key properties of 3-[2,6-bis(2-methylbutan-2-yl)phenoxy]propan-1-amine?
3-[2,6-bis(2-methylbutan-2-yl)phenoxy]propan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-bis(2-methylbutan-2-yl)phenoxy]propan-1-amine is sourced from PubChem (CID 11460531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).