N-(2-cyclopentyloxyethyl)-1-(2,4-dichlorophenyl)ethanamine

C15H21Cl2NO — CID 63824765

IUPACN-(2-cyclopentyloxyethyl)-1-(2,4-dichlorophenyl)ethanamine
SMILESCC(NCCOC1CCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO/c1-11(14-7-6-12(16)10-15(14)17)18-8-9-19-13-4-2-3-5-13/h6-7,10-11,13,18H,2-5,8-9H2,1H3
InChIKeyCPDGPRIVLVCGJG-UHFFFAOYSA-N
MW302.24 g/mol
LogP4.60
Rot. Bonds6

About N-(2-cyclopentyloxyethyl)-1-(2,4-dichlorophenyl)ethanamine

N-(2-cyclopentyloxyethyl)-1-(2,4-dichlorophenyl)ethanamine (PubChem CID 63824765) has the molecular formula C15H21Cl2NO and a molecular weight of 302.24 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)-1-(2,4-dichlorophenyl)ethanamine.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)-1-(2,4-dichlorophenyl)ethanamine
PubChem CID63824765
Molecular FormulaC15H21Cl2NO
Molecular Weight302.24 g/mol
Exact Mass301.10
IUPAC NameN-(2-cyclopentyloxyethyl)-1-(2,4-dichlorophenyl)ethanamine
SMILESCC(NCCOC1CCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO/c1-11(14-7-6-12(16)10-15(14)17)18-8-9-19-13-4-2-3-5-13/h6-7,10-11,13,18H,2-5,8-9H2,1H3
InChIKeyCPDGPRIVLVCGJG-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-cyclopentyloxyethyl)-1-(2,4-dichlorophenyl)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

N-(2-cyclohexyloxyethyl)-1-(2,4-difluorophenyl)ethanamine
CID 63826183
N-cyclopentyloxy-1-(2,4-dichlorophenyl)ethanamine
CID 83229855
N-(2-cyclopentyloxyethyl)-1-(2,3-difluorophenyl)ethanamine
CID 103924748
2-[1-(2-cyclopentyloxyethylamino)ethyl]-4-methylphenol
CID 55259523
N-[1-(2,4-dichlorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62635920
N-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine
CID 43078996
1-cyclopropyl-2-[1-(2,4-dichlorophenyl)ethylamino]ethanol
CID 63294934
N-[(4-cyclopropylphenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 79969797
N-[1-(2,4-dichlorophenyl)ethyl]pent-3-yn-1-amine
CID 104756778
4-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]butanenitrile
CID 28579571
3,5-dichloro-N-(2-cyclopentyloxyethyl)pyridin-2-amine
CID 55261073
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 114095465

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyloxyethyl)-1-(2,4-dichlorophenyl)ethanamine?
The IUPAC name of N-(2-cyclopentyloxyethyl)-1-(2,4-dichlorophenyl)ethanamine (CID 63824765) is N-(2-cyclopentyloxyethyl)-1-(2,4-dichlorophenyl)ethanamine.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)-1-(2,4-dichlorophenyl)ethanamine?
The canonical SMILES for N-(2-cyclopentyloxyethyl)-1-(2,4-dichlorophenyl)ethanamine is CC(NCCOC1CCCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2-cyclopentyloxyethyl)-1-(2,4-dichlorophenyl)ethanamine?
The InChIKey is CPDGPRIVLVCGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-11(14-7-6-12(16)10-15(14)17)18-8-9-19-13-4-2-3-5-13/h6-7,10-11,13,18H,2-5,8-9H2,1H3.
What are the key properties of N-(2-cyclopentyloxyethyl)-1-(2,4-dichlorophenyl)ethanamine?
N-(2-cyclopentyloxyethyl)-1-(2,4-dichlorophenyl)ethanamine has a molecular weight of 302.24 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)-1-(2,4-dichlorophenyl)ethanamine is sourced from PubChem (CID 63824765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).