4-chloro-N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine

C15H24ClNO2 — CID 106121638

IUPAC4-chloro-N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine
SMILESCCOc1ccccc1OCCNCCCC(C)Cl
InChIInChI=1S/C15H24ClNO2/c1-3-18-14-8-4-5-9-15(14)19-12-11-17-10-6-7-13(2)16/h4-5,8-9,13,17H,3,6-7,10-12H2,1-2H3
InChIKeySZKRTKGJYPHBHZ-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.46
Rot. Bonds10

About 4-chloro-N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine

4-chloro-N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine (PubChem CID 106121638) has the molecular formula C15H24ClNO2 and a molecular weight of 285.82 g/mol. Its IUPAC name is 4-chloro-N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine.

Molecular Properties

Compound Name4-chloro-N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine
PubChem CID106121638
Molecular FormulaC15H24ClNO2
Molecular Weight285.82 g/mol
Exact Mass285.15
IUPAC Name4-chloro-N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine
SMILESCCOc1ccccc1OCCNCCCC(C)Cl
InChIInChI=1S/C15H24ClNO2/c1-3-18-14-8-4-5-9-15(14)19-12-11-17-10-6-7-13(2)16/h4-5,8-9,13,17H,3,6-7,10-12H2,1-2H3
InChIKeySZKRTKGJYPHBHZ-UHFFFAOYSA-N
XLogP3.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(2-ethoxyphenoxy)ethylamino]-2-methylpentan-1-ol
CID 106160266
N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine
CID 62572725
4-chloro-N-(3-phenoxypropyl)pentan-1-amine
CID 106122013
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylpropan-1-amine
CID 62454697
N-[2-(2-ethoxyphenoxy)ethyl]-6-iodohexan-1-amine
CID 107844838
N-[2-(2-ethoxyphenoxy)ethyl]-3-(4-methoxyphenoxy)propan-1-amine;hydrochloride
CID 18793164
5-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol
CID 114147540
4-chloro-N-(2-ethoxyethyl)pentan-1-amine
CID 106121607
3-methyl-N-[2-(2-propoxyphenoxy)ethyl]butan-1-amine;hydrochloride
CID 117067339
3-chloro-N-(2-phenoxyethyl)butan-1-amine
CID 65024522
N-[2-(2-ethoxyphenoxy)ethyl]pent-3-yn-1-amine
CID 116643905
N-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]butan-1-amine
CID 2299738

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine?
The IUPAC name of 4-chloro-N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine (CID 106121638) is 4-chloro-N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine.
What is the SMILES notation for 4-chloro-N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine?
The canonical SMILES for 4-chloro-N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine is CCOc1ccccc1OCCNCCCC(C)Cl.
What is the InChIKey of 4-chloro-N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine?
The InChIKey is SZKRTKGJYPHBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-3-18-14-8-4-5-9-15(14)19-12-11-17-10-6-7-13(2)16/h4-5,8-9,13,17H,3,6-7,10-12H2,1-2H3.
What are the key properties of 4-chloro-N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine?
4-chloro-N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine has a molecular weight of 285.82 g/mol, XLogP of 3.46, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine is sourced from PubChem (CID 106121638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).