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

C13H17Cl2NO — CID 83229855

IUPACN-cyclopentyloxy-1-(2,4-dichlorophenyl)ethanamine
SMILESCC(NOC1CCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-9(16-17-11-4-2-3-5-11)12-7-6-10(14)8-13(12)15/h6-9,11,16H,2-5H2,1H3
InChIKeyYGRIRYUVKXVXLZ-UHFFFAOYSA-N
MW274.19 g/mol
LogP4.52
Rot. Bonds4

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

N-cyclopentyloxy-1-(2,4-dichlorophenyl)ethanamine (PubChem CID 83229855) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is N-cyclopentyloxy-1-(2,4-dichlorophenyl)ethanamine.

Molecular Properties

Compound NameN-cyclopentyloxy-1-(2,4-dichlorophenyl)ethanamine
PubChem CID83229855
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC NameN-cyclopentyloxy-1-(2,4-dichlorophenyl)ethanamine
SMILESCC(NOC1CCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-9(16-17-11-4-2-3-5-11)12-7-6-10(14)8-13(12)15/h6-9,11,16H,2-5H2,1H3
InChIKeyYGRIRYUVKXVXLZ-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)-N-cyclopentyloxyethanamine
CID 83228544
N-(2-cyclopentyloxyethyl)-1-(2,4-dichlorophenyl)ethanamine
CID 63824765
N-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine
CID 43078996
1-(4-chloro-3-fluorophenyl)-N-cyclopentyloxyethanamine
CID 83229220
N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43761470
N-cyclopentyloxy-1-(4-propan-2-ylphenyl)ethanamine
CID 83229349
N-cyclopentyloxy-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 83228314
N-[1-(2,4-dichlorophenyl)ethyl]-3-methylbutan-2-amine
CID 43094066
[2-[1-(2,4-dichlorophenyl)ethylamino]cyclohexyl]methanol
CID 103785005
N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine
CID 16740749
4-tert-butyl-N-[1-(2,4-dichlorophenyl)ethyl]cyclohexan-1-amine
CID 60663519
N-[1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropan-1-amine
CID 62397096

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1-(2,4-dichlorophenyl)ethanamine?
The IUPAC name of N-cyclopentyloxy-1-(2,4-dichlorophenyl)ethanamine (CID 83229855) is N-cyclopentyloxy-1-(2,4-dichlorophenyl)ethanamine.
What is the SMILES notation for N-cyclopentyloxy-1-(2,4-dichlorophenyl)ethanamine?
The canonical SMILES for N-cyclopentyloxy-1-(2,4-dichlorophenyl)ethanamine is CC(NOC1CCCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-cyclopentyloxy-1-(2,4-dichlorophenyl)ethanamine?
The InChIKey is YGRIRYUVKXVXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-9(16-17-11-4-2-3-5-11)12-7-6-10(14)8-13(12)15/h6-9,11,16H,2-5H2,1H3.
What are the key properties of N-cyclopentyloxy-1-(2,4-dichlorophenyl)ethanamine?
N-cyclopentyloxy-1-(2,4-dichlorophenyl)ethanamine has a molecular weight of 274.19 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1-(2,4-dichlorophenyl)ethanamine is sourced from PubChem (CID 83229855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).