1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-N-ethylethanamine

C14H20ClNO2 — CID 63557845

IUPAC1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(OC2CCOC2)c(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-3-16-10(2)11-4-5-14(13(15)8-11)18-12-6-7-17-9-12/h4-5,8,10,12,16H,3,6-7,9H2,1-2H3
InChIKeyJKTQTYSBJSGVJG-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.18
Rot. Bonds5

About 1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-N-ethylethanamine

1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-N-ethylethanamine (PubChem CID 63557845) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-N-ethylethanamine
PubChem CID63557845
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(OC2CCOC2)c(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-3-16-10(2)11-4-5-14(13(15)8-11)18-12-6-7-17-9-12/h4-5,8,10,12,16H,3,6-7,9H2,1-2H3
InChIKeyJKTQTYSBJSGVJG-UHFFFAOYSA-N
XLogP3.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-cycloheptyloxyphenyl)-N-ethylethanamine
CID 63532897
1-[3-chloro-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 63531958
2-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005383
N-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine
CID 63556375
N-ethyl-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556969
1-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-ethylethanamine
CID 62911548
1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]-N-ethylethanamine
CID 63533910
1-[5-bromo-2-(oxan-3-yloxy)phenyl]-N-ethylethanamine
CID 107134357
1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine
CID 117427899
N-[1-[4-methyl-2-(oxolan-3-yloxy)phenyl]ethyl]propan-1-amine
CID 63640291
3-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005382
1-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-ol
CID 117425519

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-N-ethylethanamine (CID 63557845) is 1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-N-ethylethanamine is CCNC(C)c1ccc(OC2CCOC2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-N-ethylethanamine?
The InChIKey is JKTQTYSBJSGVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-3-16-10(2)11-4-5-14(13(15)8-11)18-12-6-7-17-9-12/h4-5,8,10,12,16H,3,6-7,9H2,1-2H3.
What are the key properties of 1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-N-ethylethanamine?
1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-N-ethylethanamine has a molecular weight of 269.77 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-N-ethylethanamine is sourced from PubChem (CID 63557845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).