3-(3-chlorophenoxy)-N-ethyl-1-propoxybutan-2-amine

C15H24ClNO2 — CID 105165268

IUPAC3-(3-chlorophenoxy)-N-ethyl-1-propoxybutan-2-amine
SMILESCCCOCC(NCC)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C15H24ClNO2/c1-4-9-18-11-15(17-5-2)12(3)19-14-8-6-7-13(16)10-14/h6-8,10,12,15,17H,4-5,9,11H2,1-3H3
InChIKeyAKUMLMPWQJSDLH-UHFFFAOYSA-N
MW285.81 g/mol
LogP3.51
Rot. Bonds9

About 3-(3-chlorophenoxy)-N-ethyl-1-propoxybutan-2-amine

3-(3-chlorophenoxy)-N-ethyl-1-propoxybutan-2-amine (PubChem CID 105165268) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-N-ethyl-1-propoxybutan-2-amine.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-N-ethyl-1-propoxybutan-2-amine
PubChem CID105165268
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name3-(3-chlorophenoxy)-N-ethyl-1-propoxybutan-2-amine
SMILESCCCOCC(NCC)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C15H24ClNO2/c1-4-9-18-11-15(17-5-2)12(3)19-14-8-6-7-13(16)10-14/h6-8,10,12,15,17H,4-5,9,11H2,1-3H3
InChIKeyAKUMLMPWQJSDLH-UHFFFAOYSA-N
XLogP3.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 53.51
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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-N-ethyl-1-propoxybutan-2-amine?
The IUPAC name of 3-(3-chlorophenoxy)-N-ethyl-1-propoxybutan-2-amine (CID 105165268) is 3-(3-chlorophenoxy)-N-ethyl-1-propoxybutan-2-amine.
What is the SMILES notation for 3-(3-chlorophenoxy)-N-ethyl-1-propoxybutan-2-amine?
The canonical SMILES for 3-(3-chlorophenoxy)-N-ethyl-1-propoxybutan-2-amine is CCCOCC(NCC)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenoxy)-N-ethyl-1-propoxybutan-2-amine?
The InChIKey is AKUMLMPWQJSDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-4-9-18-11-15(17-5-2)12(3)19-14-8-6-7-13(16)10-14/h6-8,10,12,15,17H,4-5,9,11H2,1-3H3.
What are the key properties of 3-(3-chlorophenoxy)-N-ethyl-1-propoxybutan-2-amine?
3-(3-chlorophenoxy)-N-ethyl-1-propoxybutan-2-amine has a molecular weight of 285.81 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-N-ethyl-1-propoxybutan-2-amine is sourced from PubChem (CID 105165268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).