1-(4-chloro-2,5-dimethoxyphenyl)azetidin-3-amine

C11H15ClN2O2 — CID 117002859

IUPAC1-(4-chloro-2,5-dimethoxyphenyl)azetidin-3-amine
SMILESCOc1cc(N2CC(N)C2)c(OC)cc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-15-10-4-9(14-5-7(13)6-14)11(16-2)3-8(10)12/h3-4,7H,5-6,13H2,1-2H3
InChIKeyPKYVJCTXFXIIDY-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.50
Rot. Bonds3

About 1-(4-chloro-2,5-dimethoxyphenyl)azetidin-3-amine

1-(4-chloro-2,5-dimethoxyphenyl)azetidin-3-amine (PubChem CID 117002859) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethoxyphenyl)azetidin-3-amine.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethoxyphenyl)azetidin-3-amine
PubChem CID117002859
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name1-(4-chloro-2,5-dimethoxyphenyl)azetidin-3-amine
SMILESCOc1cc(N2CC(N)C2)c(OC)cc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-15-10-4-9(14-5-7(13)6-14)11(16-2)3-8(10)12/h3-4,7H,5-6,13H2,1-2H3
InChIKeyPKYVJCTXFXIIDY-UHFFFAOYSA-N
XLogP1.50
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-2,5-dimethoxyphenyl)-N-methylazetidin-3-amine
CID 117002959
1-[1-(4-chloro-2,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62513534
(3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-amine
CID 51663668
1-(3-chloro-4-methoxyphenyl)pyrrolidin-3-amine
CID 60860962
1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-methylpropyl)piperazine
CID 64923704
9-(4-chloro-2,5-dimethoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 62714291
(3S)-1-(4-chloro-2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94075985
1-(4-chloro-2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidin-3-amine
CID 117018172
3-chloro-4-(4-chloro-2,5-dimethoxyphenyl)-1,2,4-triazole
CID 63384718
5-chloro-2-(4-hydroxypiperazin-1-yl)-4-methoxyaniline
CID 143061730
1-(2,4-dichloro-5-methoxyphenyl)pyrrole
CID 3520882
1-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-5-propan-2-ylpiperazine
CID 64938665

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)azetidin-3-amine?
The IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)azetidin-3-amine (CID 117002859) is 1-(4-chloro-2,5-dimethoxyphenyl)azetidin-3-amine.
What is the SMILES notation for 1-(4-chloro-2,5-dimethoxyphenyl)azetidin-3-amine?
The canonical SMILES for 1-(4-chloro-2,5-dimethoxyphenyl)azetidin-3-amine is COc1cc(N2CC(N)C2)c(OC)cc1Cl.
What is the InChIKey of 1-(4-chloro-2,5-dimethoxyphenyl)azetidin-3-amine?
The InChIKey is PKYVJCTXFXIIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-15-10-4-9(14-5-7(13)6-14)11(16-2)3-8(10)12/h3-4,7H,5-6,13H2,1-2H3.
What are the key properties of 1-(4-chloro-2,5-dimethoxyphenyl)azetidin-3-amine?
1-(4-chloro-2,5-dimethoxyphenyl)azetidin-3-amine has a molecular weight of 242.71 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-dimethoxyphenyl)azetidin-3-amine is sourced from PubChem (CID 117002859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).