N-[2-(2,4-dichlorophenoxy)ethyl]-N-propylazetidin-3-amine

C14H20Cl2N2O — CID 66216702

IUPACN-[2-(2,4-dichlorophenoxy)ethyl]-N-propylazetidin-3-amine
SMILESCCCN(CCOc1ccc(Cl)cc1Cl)C1CNC1
InChIInChI=1S/C14H20Cl2N2O/c1-2-5-18(12-9-17-10-12)6-7-19-14-4-3-11(15)8-13(14)16/h3-4,8,12,17H,2,5-7,9-10H2,1H3
InChIKeySMQNLWJAIBVYEO-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.06
Rot. Bonds7

About N-[2-(2,4-dichlorophenoxy)ethyl]-N-propylazetidin-3-amine

N-[2-(2,4-dichlorophenoxy)ethyl]-N-propylazetidin-3-amine (PubChem CID 66216702) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenoxy)ethyl]-N-propylazetidin-3-amine.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenoxy)ethyl]-N-propylazetidin-3-amine
PubChem CID66216702
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC NameN-[2-(2,4-dichlorophenoxy)ethyl]-N-propylazetidin-3-amine
SMILESCCCN(CCOc1ccc(Cl)cc1Cl)C1CNC1
InChIInChI=1S/C14H20Cl2N2O/c1-2-5-18(12-9-17-10-12)6-7-19-14-4-3-11(15)8-13(14)16/h3-4,8,12,17H,2,5-7,9-10H2,1H3
InChIKeySMQNLWJAIBVYEO-UHFFFAOYSA-N
XLogP3.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-dichlorophenoxy)ethyl]-N-ethylpiperidin-4-amine
CID 60807480
N-[2-(2-fluorophenoxy)ethyl]-N-propylazetidin-3-amine
CID 66215915
2-[cyclobutyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol
CID 102676706
N-[2-(2-chlorophenoxy)ethyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921660
2-[cyclohexyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol
CID 63470319
N-[2-(2,4-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913425
3-(2,4-dichlorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119825395
1-[2-(2,4-dichlorophenoxy)ethyl]-2,6-dimethylpiperazine
CID 63911030
N-[2-(3-methylphenoxy)ethyl]-N-propylazetidin-3-amine
CID 66214496
3-[2-(2,4-dichlorophenoxy)ethylsulfanylmethyl]azetidine
CID 66289058
N'-[2-(2,4-dichlorophenoxy)ethyl]-N'-methylethane-1,2-diamine
CID 62688620
4-N-[2-(2,4-dichlorophenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121912

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenoxy)ethyl]-N-propylazetidin-3-amine?
The IUPAC name of N-[2-(2,4-dichlorophenoxy)ethyl]-N-propylazetidin-3-amine (CID 66216702) is N-[2-(2,4-dichlorophenoxy)ethyl]-N-propylazetidin-3-amine.
What is the SMILES notation for N-[2-(2,4-dichlorophenoxy)ethyl]-N-propylazetidin-3-amine?
The canonical SMILES for N-[2-(2,4-dichlorophenoxy)ethyl]-N-propylazetidin-3-amine is CCCN(CCOc1ccc(Cl)cc1Cl)C1CNC1.
What is the InChIKey of N-[2-(2,4-dichlorophenoxy)ethyl]-N-propylazetidin-3-amine?
The InChIKey is SMQNLWJAIBVYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-2-5-18(12-9-17-10-12)6-7-19-14-4-3-11(15)8-13(14)16/h3-4,8,12,17H,2,5-7,9-10H2,1H3.
What are the key properties of N-[2-(2,4-dichlorophenoxy)ethyl]-N-propylazetidin-3-amine?
N-[2-(2,4-dichlorophenoxy)ethyl]-N-propylazetidin-3-amine has a molecular weight of 303.23 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenoxy)ethyl]-N-propylazetidin-3-amine is sourced from PubChem (CID 66216702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).