2-[4-(2-phenylpropan-2-yl)phenoxy]ethanamine;hydrochloride

C17H22ClNO — CID 2973523

IUPAC2-[4-(2-phenylpropan-2-yl)phenoxy]ethanamine;hydrochloride
SMILESCC(C)(c1ccccc1)c1ccc(OCCN)cc1.Cl
InChIInChI=1S/C17H21NO.ClH/c1-17(2,14-6-4-3-5-7-14)15-8-10-16(11-9-15)19-13-12-18;/h3-11H,12-13,18H2,1-2H3;1H
InChIKeyHTTQZYJSFAMGOK-UHFFFAOYSA-N
MW291.82 g/mol
LogP3.77
Rot. Bonds5

About 2-[4-(2-phenylpropan-2-yl)phenoxy]ethanamine;hydrochloride

2-[4-(2-phenylpropan-2-yl)phenoxy]ethanamine;hydrochloride (PubChem CID 2973523) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is 2-[4-(2-phenylpropan-2-yl)phenoxy]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[4-(2-phenylpropan-2-yl)phenoxy]ethanamine;hydrochloride
PubChem CID2973523
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name2-[4-(2-phenylpropan-2-yl)phenoxy]ethanamine;hydrochloride
SMILESCC(C)(c1ccccc1)c1ccc(OCCN)cc1.Cl
InChIInChI=1S/C17H21NO.ClH/c1-17(2,14-6-4-3-5-7-14)15-8-10-16(11-9-15)19-13-12-18;/h3-11H,12-13,18H2,1-2H3;1H
InChIKeyHTTQZYJSFAMGOK-UHFFFAOYSA-N
XLogP3.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-(2-phenylpropan-2-yl)phenoxy]ethanamine;hydrochloride 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 2-[4-(2-phenylpropan-2-yl)phenoxy]ethanamine;hydrochloride?
The IUPAC name of 2-[4-(2-phenylpropan-2-yl)phenoxy]ethanamine;hydrochloride (CID 2973523) is 2-[4-(2-phenylpropan-2-yl)phenoxy]ethanamine;hydrochloride.
What is the SMILES notation for 2-[4-(2-phenylpropan-2-yl)phenoxy]ethanamine;hydrochloride?
The canonical SMILES for 2-[4-(2-phenylpropan-2-yl)phenoxy]ethanamine;hydrochloride is CC(C)(c1ccccc1)c1ccc(OCCN)cc1.Cl.
What is the InChIKey of 2-[4-(2-phenylpropan-2-yl)phenoxy]ethanamine;hydrochloride?
The InChIKey is HTTQZYJSFAMGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO.ClH/c1-17(2,14-6-4-3-5-7-14)15-8-10-16(11-9-15)19-13-12-18;/h3-11H,12-13,18H2,1-2H3;1H.
What are the key properties of 2-[4-(2-phenylpropan-2-yl)phenoxy]ethanamine;hydrochloride?
2-[4-(2-phenylpropan-2-yl)phenoxy]ethanamine;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-phenylpropan-2-yl)phenoxy]ethanamine;hydrochloride is sourced from PubChem (CID 2973523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).