1-cyclopropyl-N-[2-(3,5-dichlorophenoxy)ethyl]ethanamine

C13H17Cl2NO — CID 62585284

IUPAC1-cyclopropyl-N-[2-(3,5-dichlorophenoxy)ethyl]ethanamine
SMILESCC(NCCOc1cc(Cl)cc(Cl)c1)C1CC1
InChIInChI=1S/C13H17Cl2NO/c1-9(10-2-3-10)16-4-5-17-13-7-11(14)6-12(15)8-13/h6-10,16H,2-5H2,1H3
InChIKeyMNYNHBJAWGYOJQ-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.76
Rot. Bonds6

About 1-cyclopropyl-N-[2-(3,5-dichlorophenoxy)ethyl]ethanamine

1-cyclopropyl-N-[2-(3,5-dichlorophenoxy)ethyl]ethanamine (PubChem CID 62585284) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(3,5-dichlorophenoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(3,5-dichlorophenoxy)ethyl]ethanamine
PubChem CID62585284
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name1-cyclopropyl-N-[2-(3,5-dichlorophenoxy)ethyl]ethanamine
SMILESCC(NCCOc1cc(Cl)cc(Cl)c1)C1CC1
InChIInChI=1S/C13H17Cl2NO/c1-9(10-2-3-10)16-4-5-17-13-7-11(14)6-12(15)8-13/h6-10,16H,2-5H2,1H3
InChIKeyMNYNHBJAWGYOJQ-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-N-[2-(3,5-dichlorophenoxy)ethyl]ethanamine 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-cyclopropyl-N-[2-(4-ethoxyphenoxy)ethyl]ethanamine
CID 55024132
(1R)-N-[2-(4-chlorophenoxy)ethyl]-1-(oxan-4-yl)ethanamine
CID 97230820
1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine
CID 60696154
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyclopropylethanamine
CID 115893937
N-[2-(4-bromo-3-methylphenoxy)ethyl]-1-cyclopropylethanamine
CID 83140423
(1R)-1-cyclopentyl-N-(2-phenoxyethyl)ethanamine
CID 81393795
N-[2-[(4-chlorophenyl)methoxy]ethyl]-1-cyclopropylethanamine
CID 65125135
1-cyclopropyl-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine
CID 62585092
1-cyclopropyl-N-(2-methoxyethyl)ethanamine
CID 43190130
1-cyclopropyl-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine
CID 62572699
N-(1-cyclohexylethyl)-3-phenoxypropan-1-amine
CID 62381130
N-[2-(3-chlorophenyl)sulfanylethyl]-1-cyclopropylethanamine
CID 62646836

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(3,5-dichlorophenoxy)ethyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-[2-(3,5-dichlorophenoxy)ethyl]ethanamine (CID 62585284) is 1-cyclopropyl-N-[2-(3,5-dichlorophenoxy)ethyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[2-(3,5-dichlorophenoxy)ethyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-[2-(3,5-dichlorophenoxy)ethyl]ethanamine is CC(NCCOc1cc(Cl)cc(Cl)c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[2-(3,5-dichlorophenoxy)ethyl]ethanamine?
The InChIKey is MNYNHBJAWGYOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-9(10-2-3-10)16-4-5-17-13-7-11(14)6-12(15)8-13/h6-10,16H,2-5H2,1H3.
What are the key properties of 1-cyclopropyl-N-[2-(3,5-dichlorophenoxy)ethyl]ethanamine?
1-cyclopropyl-N-[2-(3,5-dichlorophenoxy)ethyl]ethanamine has a molecular weight of 274.19 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(3,5-dichlorophenoxy)ethyl]ethanamine is sourced from PubChem (CID 62585284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).