1-[2-(2,6-dichlorophenoxy)ethyl]azetidin-3-amine

C11H14Cl2N2O — CID 65249570

IUPAC1-[2-(2,6-dichlorophenoxy)ethyl]azetidin-3-amine
SMILESNC1CN(CCOc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C11H14Cl2N2O/c12-9-2-1-3-10(13)11(9)16-5-4-15-6-8(14)7-15/h1-3,8H,4-7,14H2
InChIKeyUWXPESJEVQUKHH-UHFFFAOYSA-N
MW261.15 g/mol
LogP2.02
Rot. Bonds4

About 1-[2-(2,6-dichlorophenoxy)ethyl]azetidin-3-amine

1-[2-(2,6-dichlorophenoxy)ethyl]azetidin-3-amine (PubChem CID 65249570) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is 1-[2-(2,6-dichlorophenoxy)ethyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[2-(2,6-dichlorophenoxy)ethyl]azetidin-3-amine
PubChem CID65249570
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name1-[2-(2,6-dichlorophenoxy)ethyl]azetidin-3-amine
SMILESNC1CN(CCOc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C11H14Cl2N2O/c12-9-2-1-3-10(13)11(9)16-5-4-15-6-8(14)7-15/h1-3,8H,4-7,14H2
InChIKeyUWXPESJEVQUKHH-UHFFFAOYSA-N
XLogP2.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-3-yl]methanamine
CID 62063405
1-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 61203648
1-[2-(2,6-dichlorophenoxy)ethyl]-1,4-diazepane
CID 43162548
4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]sulfonylmorpholine
CID 36931838
4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]phenol
CID 8690234
(3R)-1-[2-(2-chlorophenoxy)ethyl]piperidin-3-amine
CID 102977398
1-[2-[2-(2,6-dichlorophenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 30075930
3-chloro-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 22442061
N-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-4-yl]benzamide
CID 33104635
1-[2-(2,6-dichlorophenoxy)ethyl]pyrazol-4-amine
CID 62136821
2-(2,6-dichlorophenoxy)ethylhydrazine
CID 3798878
3,5-dichloro-4-(2-piperidin-1-ylethoxy)aniline
CID 106891018

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dichlorophenoxy)ethyl]azetidin-3-amine?
The IUPAC name of 1-[2-(2,6-dichlorophenoxy)ethyl]azetidin-3-amine (CID 65249570) is 1-[2-(2,6-dichlorophenoxy)ethyl]azetidin-3-amine.
What is the SMILES notation for 1-[2-(2,6-dichlorophenoxy)ethyl]azetidin-3-amine?
The canonical SMILES for 1-[2-(2,6-dichlorophenoxy)ethyl]azetidin-3-amine is NC1CN(CCOc2c(Cl)cccc2Cl)C1.
What is the InChIKey of 1-[2-(2,6-dichlorophenoxy)ethyl]azetidin-3-amine?
The InChIKey is UWXPESJEVQUKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c12-9-2-1-3-10(13)11(9)16-5-4-15-6-8(14)7-15/h1-3,8H,4-7,14H2.
What are the key properties of 1-[2-(2,6-dichlorophenoxy)ethyl]azetidin-3-amine?
1-[2-(2,6-dichlorophenoxy)ethyl]azetidin-3-amine has a molecular weight of 261.15 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dichlorophenoxy)ethyl]azetidin-3-amine is sourced from PubChem (CID 65249570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).