2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride

C11H18ClNO — CID 178200701

IUPAC2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride
SMILESCC(C)c1cccc(OCCN)c1.Cl
InChIInChI=1S/C11H17NO.ClH/c1-9(2)10-4-3-5-11(8-10)13-7-6-12;/h3-5,8-9H,6-7,12H2,1-2H3;1H
InChIKeySPKWVIIBRXXFBG-UHFFFAOYSA-N
MW215.72 g/mol
LogP2.57
Rot. Bonds4

About 2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride

2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride (PubChem CID 178200701) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is 2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride
PubChem CID178200701
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride
SMILESCC(C)c1cccc(OCCN)c1.Cl
InChIInChI=1S/C11H17NO.ClH/c1-9(2)10-4-3-5-11(8-10)13-7-6-12;/h3-5,8-9H,6-7,12H2,1-2H3;1H
InChIKeySPKWVIIBRXXFBG-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-propan-2-ylphenoxy)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

Related Compounds

1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
2-(3-propan-2-ylphenoxy)ethanethiol
CID 21131503
ethane;2-(3-propan-2-ylphenoxy)ethanethiol
CID 144874001
2-(6-propan-2-ylnaphthalen-2-yl)oxyethanamine
CID 123913682
1-bromo-3-[2-(3-propan-2-ylphenoxy)ethoxy]benzene
CID 63457183
2-[3-(3-methylbutoxy)phenoxy]ethanamine
CID 25256004
3-[3-(1-fluoroethyl)phenoxy]propan-1-amine
CID 115021072
1-bromo-4-[2-(3-propan-2-ylphenoxy)ethoxy]benzene
CID 60627673
6-(3-propan-2-ylphenoxy)hexan-1-ol
CID 103867881
1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 23399142
4-(3-propan-2-ylphenoxy)but-2-en-1-amine
CID 77110614
2-(4-methylphenyl)-4-(3-propan-2-ylphenoxy)butan-1-amine
CID 82138041

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride?
The IUPAC name of 2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride (CID 178200701) is 2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride.
What is the SMILES notation for 2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride?
The canonical SMILES for 2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride is CC(C)c1cccc(OCCN)c1.Cl.
What is the InChIKey of 2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride?
The InChIKey is SPKWVIIBRXXFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.ClH/c1-9(2)10-4-3-5-11(8-10)13-7-6-12;/h3-5,8-9H,6-7,12H2,1-2H3;1H.
What are the key properties of 2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride?
2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride has a molecular weight of 215.72 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride is sourced from PubChem (CID 178200701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).