2-[5-chloro-2-(2-ethoxyethoxy)phenyl]ethanamine

C12H18ClNO2 — CID 60906110

IUPAC2-[5-chloro-2-(2-ethoxyethoxy)phenyl]ethanamine
SMILESCCOCCOc1ccc(Cl)cc1CCN
InChIInChI=1S/C12H18ClNO2/c1-2-15-7-8-16-12-4-3-11(13)9-10(12)5-6-14/h3-4,9H,2,5-8,14H2,1H3
InChIKeyWEKVZKJSDNGGHW-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.26
Rot. Bonds7

About 2-[5-chloro-2-(2-ethoxyethoxy)phenyl]ethanamine

2-[5-chloro-2-(2-ethoxyethoxy)phenyl]ethanamine (PubChem CID 60906110) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 2-[5-chloro-2-(2-ethoxyethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-chloro-2-(2-ethoxyethoxy)phenyl]ethanamine
PubChem CID60906110
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name2-[5-chloro-2-(2-ethoxyethoxy)phenyl]ethanamine
SMILESCCOCCOc1ccc(Cl)cc1CCN
InChIInChI=1S/C12H18ClNO2/c1-2-15-7-8-16-12-4-3-11(13)9-10(12)5-6-14/h3-4,9H,2,5-8,14H2,1H3
InChIKeyWEKVZKJSDNGGHW-UHFFFAOYSA-N
XLogP2.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[5-chloro-2-(ethoxymethoxy)phenyl]ethanamine
CID 65369658
2-[5-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103411486
2-[5-chloro-2-(2-ethoxyethoxy)-3-methoxyphenyl]ethanamine
CID 104666878
4-chloro-2-(2-ethoxyethoxy)aniline
CID 62306206
2-[5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine
CID 20989901
[5-chloro-2-(3-ethoxypropoxy)phenyl]methanol
CID 65175257
2-[5-chloro-2-(2-methylpropoxy)phenyl]ethanamine
CID 60905190
2-[5-chloro-2-(4-ethoxyphenoxy)phenyl]ethanamine
CID 114862746
N-[[5-chloro-2-(3-ethoxypropoxy)phenyl]methyl]ethanamine
CID 65175905
2-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine
CID 114530890
5-chloro-2-(2-ethoxyethoxy)benzenecarboximidamide
CID 62494463
1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(3-ethoxypropyl)guanidine
CID 109467901

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(2-ethoxyethoxy)phenyl]ethanamine?
The IUPAC name of 2-[5-chloro-2-(2-ethoxyethoxy)phenyl]ethanamine (CID 60906110) is 2-[5-chloro-2-(2-ethoxyethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[5-chloro-2-(2-ethoxyethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[5-chloro-2-(2-ethoxyethoxy)phenyl]ethanamine is CCOCCOc1ccc(Cl)cc1CCN.
What is the InChIKey of 2-[5-chloro-2-(2-ethoxyethoxy)phenyl]ethanamine?
The InChIKey is WEKVZKJSDNGGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-2-15-7-8-16-12-4-3-11(13)9-10(12)5-6-14/h3-4,9H,2,5-8,14H2,1H3.
What are the key properties of 2-[5-chloro-2-(2-ethoxyethoxy)phenyl]ethanamine?
2-[5-chloro-2-(2-ethoxyethoxy)phenyl]ethanamine has a molecular weight of 243.73 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(2-ethoxyethoxy)phenyl]ethanamine is sourced from PubChem (CID 60906110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).