2-[2-(ethylamino)ethyl]phenol;hydrochloride

C10H16ClNO — CID 68825944

IUPAC2-[2-(ethylamino)ethyl]phenol;hydrochloride
SMILESCCNCCc1ccccc1O.Cl
InChIInChI=1S/C10H15NO.ClH/c1-2-11-8-7-9-5-3-4-6-10(9)12;/h3-6,11-12H,2,7-8H2,1H3;1H
InChIKeyAVMYQKUFYGFWKL-UHFFFAOYSA-N
MW201.70 g/mol
LogP1.97
Rot. Bonds4

About 2-[2-(ethylamino)ethyl]phenol;hydrochloride

2-[2-(ethylamino)ethyl]phenol;hydrochloride (PubChem CID 68825944) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 2-[2-(ethylamino)ethyl]phenol;hydrochloride.

Molecular Properties

Compound Name2-[2-(ethylamino)ethyl]phenol;hydrochloride
PubChem CID68825944
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name2-[2-(ethylamino)ethyl]phenol;hydrochloride
SMILESCCNCCc1ccccc1O.Cl
InChIInChI=1S/C10H15NO.ClH/c1-2-11-8-7-9-5-3-4-6-10(9)12;/h3-6,11-12H,2,7-8H2,1H3;1H
InChIKeyAVMYQKUFYGFWKL-UHFFFAOYSA-N
XLogP1.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(ethylamino)ethyl]phenol;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

2-(ethylaminomethyl)phenol
CID 12995218
ethane;N-ethyl-2-(2-fluorophenyl)ethanamine
CID 155737119
2-[2-(ethylamino)ethyl]benzamide
CID 70462261
2-[2-(cyclopentylmethylamino)ethyl]phenol
CID 115905206
CID 175749710
CID 175749710
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine
CID 115463727
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-propylpropan-1-amine
CID 115463481
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-2-amine
CID 115463757
2-[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-N-ethylethanamine
CID 115463396
2-[2-(2-ethoxyethoxymethyl)phenyl]-N-ethylethanamine
CID 113314824
methyl 4-[[2-(2-hydroxyphenyl)ethylamino]methyl]benzoate
CID 11233903
2-[2-(azocan-1-ylmethyl)phenyl]-N-ethylethanamine
CID 115463559

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)ethyl]phenol;hydrochloride?
The IUPAC name of 2-[2-(ethylamino)ethyl]phenol;hydrochloride (CID 68825944) is 2-[2-(ethylamino)ethyl]phenol;hydrochloride.
What is the SMILES notation for 2-[2-(ethylamino)ethyl]phenol;hydrochloride?
The canonical SMILES for 2-[2-(ethylamino)ethyl]phenol;hydrochloride is CCNCCc1ccccc1O.Cl.
What is the InChIKey of 2-[2-(ethylamino)ethyl]phenol;hydrochloride?
The InChIKey is AVMYQKUFYGFWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-2-11-8-7-9-5-3-4-6-10(9)12;/h3-6,11-12H,2,7-8H2,1H3;1H.
What are the key properties of 2-[2-(ethylamino)ethyl]phenol;hydrochloride?
2-[2-(ethylamino)ethyl]phenol;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)ethyl]phenol;hydrochloride is sourced from PubChem (CID 68825944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).