1-cyclopropyl-2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)ethanamine;hydrochloride

C16H26ClNO2 — CID 162315529

IUPAC1-cyclopropyl-2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)ethanamine;hydrochloride
SMILESCOCCNC(COc1cc(C)cc(C)c1)C1CC1.Cl
InChIInChI=1S/C16H25NO2.ClH/c1-12-8-13(2)10-15(9-12)19-11-16(14-4-5-14)17-6-7-18-3;/h8-10,14,16-17H,4-7,11H2,1-3H3;1H
InChIKeyMMWKWKKYUHTVQT-UHFFFAOYSA-N
MW299.84 g/mol
LogP3.12
Rot. Bonds8

About 1-cyclopropyl-2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)ethanamine;hydrochloride

1-cyclopropyl-2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)ethanamine;hydrochloride (PubChem CID 162315529) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-cyclopropyl-2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)ethanamine;hydrochloride
PubChem CID162315529
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name1-cyclopropyl-2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)ethanamine;hydrochloride
SMILESCOCCNC(COc1cc(C)cc(C)c1)C1CC1.Cl
InChIInChI=1S/C16H25NO2.ClH/c1-12-8-13(2)10-15(9-12)19-11-16(14-4-5-14)17-6-7-18-3;/h8-10,14,16-17H,4-7,11H2,1-3H3;1H
InChIKeyMMWKWKKYUHTVQT-UHFFFAOYSA-N
XLogP3.12
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)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

Toliprolol
CID 18047
(2-Hydroxy-3-(m-tolyloxy)propyl)isopropylammonium chloride
CID 120651
(S)-Toliprolol
CID 12179890
4-[2-(3,5-Dimethylphenoxy)ethyl]morpholine
CID 868438
(3-Phenoxy-propyl)-(2-m-tolyloxy-ethyl)-amine
CID 10660814
N-[2-(5-isopropyl-2-methylphenoxy)ethyl]-3-methoxy-1-propanamine
CID 2299870
1-(3,5-Dimethylphenoxy)-3-(isopropylamino)-2-propanol hydrochloride
CID 2843596
(2R)-N-(2-phenoxyethyl)-1-phenylpropan-2-amine
CID 21968329
1-Cyclopropyl-2-(2,6-dimethylphenoxy)ethanamine;hydrochloride
CID 139451732
2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)-1-phenylethanamine;hydrochloride
CID 162325011
1-((1-Methylethyl)amino)-3-(3-(1-methylpropyl)phenoxy)-2-propanol
CID 170739
2-[5-(3,5-Dimethylphenoxy)pentylamino]ethanol
CID 2249966

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)ethanamine;hydrochloride?
The IUPAC name of 1-cyclopropyl-2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)ethanamine;hydrochloride (CID 162315529) is 1-cyclopropyl-2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)ethanamine;hydrochloride.
What is the SMILES notation for 1-cyclopropyl-2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)ethanamine;hydrochloride?
The canonical SMILES for 1-cyclopropyl-2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)ethanamine;hydrochloride is COCCNC(COc1cc(C)cc(C)c1)C1CC1.Cl.
What is the InChIKey of 1-cyclopropyl-2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)ethanamine;hydrochloride?
The InChIKey is MMWKWKKYUHTVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2.ClH/c1-12-8-13(2)10-15(9-12)19-11-16(14-4-5-14)17-6-7-18-3;/h8-10,14,16-17H,4-7,11H2,1-3H3;1H.
What are the key properties of 1-cyclopropyl-2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)ethanamine;hydrochloride?
1-cyclopropyl-2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)ethanamine;hydrochloride has a molecular weight of 299.84 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)ethanamine;hydrochloride is sourced from PubChem (CID 162315529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).