1-(2-chlorophenyl)-N-cyclopentyloxyethanamine

C13H18ClNO — CID 83228544

IUPAC1-(2-chlorophenyl)-N-cyclopentyloxyethanamine
SMILESCC(NOC1CCCC1)c1ccccc1Cl
InChIInChI=1S/C13H18ClNO/c1-10(12-8-4-5-9-13(12)14)15-16-11-6-2-3-7-11/h4-5,8-11,15H,2-3,6-7H2,1H3
InChIKeySONDEXWUZKCYIJ-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.86
Rot. Bonds4

About 1-(2-chlorophenyl)-N-cyclopentyloxyethanamine

1-(2-chlorophenyl)-N-cyclopentyloxyethanamine (PubChem CID 83228544) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-cyclopentyloxyethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-cyclopentyloxyethanamine
PubChem CID83228544
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name1-(2-chlorophenyl)-N-cyclopentyloxyethanamine
SMILESCC(NOC1CCCC1)c1ccccc1Cl
InChIInChI=1S/C13H18ClNO/c1-10(12-8-4-5-9-13(12)14)15-16-11-6-2-3-7-11/h4-5,8-11,15H,2-3,6-7H2,1H3
InChIKeySONDEXWUZKCYIJ-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.86
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

N-cyclopentyloxy-1-(2,4-dichlorophenyl)ethanamine
CID 83229855
(1R)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine
CID 81377732
(1S)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine
CID 81377152
(1R)-1-(2-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
CID 81377860
N-cyclopentyloxy-1-(4-propan-2-ylphenyl)ethanamine
CID 83229349
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopentylethanamine
CID 81395665
1-(2-chlorophenyl)-N-(2-cyclopentylethyl)ethanamine
CID 55191954
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-cyclohexylethanamine
CID 81384547
1-(2-chlorophenyl)-1-cyclopentyloxypropan-2-amine
CID 55022905
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]cyclohexan-1-ol
CID 81379546
1-(4-chloro-3-fluorophenyl)-N-cyclopentyloxyethanamine
CID 83229220
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine
CID 113489915

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-cyclopentyloxyethanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-cyclopentyloxyethanamine (CID 83228544) is 1-(2-chlorophenyl)-N-cyclopentyloxyethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-cyclopentyloxyethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-cyclopentyloxyethanamine is CC(NOC1CCCC1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-cyclopentyloxyethanamine?
The InChIKey is SONDEXWUZKCYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-10(12-8-4-5-9-13(12)14)15-16-11-6-2-3-7-11/h4-5,8-11,15H,2-3,6-7H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-cyclopentyloxyethanamine?
1-(2-chlorophenyl)-N-cyclopentyloxyethanamine has a molecular weight of 239.75 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-cyclopentyloxyethanamine is sourced from PubChem (CID 83228544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).