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

C12H17ClN2O2 — CID 117002959

IUPAC1-(4-chloro-2,5-dimethoxyphenyl)-N-methylazetidin-3-amine
SMILESCNC1CN(c2cc(OC)c(Cl)cc2OC)C1
InChIInChI=1S/C12H17ClN2O2/c1-14-8-6-15(7-8)10-5-11(16-2)9(13)4-12(10)17-3/h4-5,8,14H,6-7H2,1-3H3
InChIKeyYPLYSHVLSQVJOE-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.77
Rot. Bonds4

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

1-(4-chloro-2,5-dimethoxyphenyl)-N-methylazetidin-3-amine (PubChem CID 117002959) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethoxyphenyl)-N-methylazetidin-3-amine.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethoxyphenyl)-N-methylazetidin-3-amine
PubChem CID117002959
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name1-(4-chloro-2,5-dimethoxyphenyl)-N-methylazetidin-3-amine
SMILESCNC1CN(c2cc(OC)c(Cl)cc2OC)C1
InChIInChI=1S/C12H17ClN2O2/c1-14-8-6-15(7-8)10-5-11(16-2)9(13)4-12(10)17-3/h4-5,8,14H,6-7H2,1-3H3
InChIKeyYPLYSHVLSQVJOE-UHFFFAOYSA-N
XLogP1.77
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-2,5-dimethoxyphenyl)azetidin-3-amine
CID 117002859
1-(5-chloro-2-methoxyphenyl)-N-methylazetidin-3-amine
CID 117002920
1-[1-(4-chloro-2,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62513534
1-(4-chloro-3-methoxyphenyl)-N-methylpyrrolidin-3-amine
CID 107622018
4-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptylpiperazine-1-carboxamide
CID 113110644
1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-methylpropyl)piperazine
CID 64923704
1-(5-chloro-2,4-dimethoxyphenyl)-N-propylpiperidin-4-amine
CID 60861288
1-(4-chloro-2,5-dimethoxyphenyl)-4-propylsulfonylpiperazine
CID 113080589
3-chloro-4-(4-chloro-2,5-dimethoxyphenyl)-1,2,4-triazole
CID 63384718
5-chloro-2,4-dimethoxy-N-methylaniline
CID 28576065
2,5-dichloro-4-methoxy-N-methylaniline
CID 82283226
1-(5-chloro-2-methylphenyl)-N-methylazetidin-3-amine
CID 117002914

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-N-methylazetidin-3-amine?
The IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-N-methylazetidin-3-amine (CID 117002959) is 1-(4-chloro-2,5-dimethoxyphenyl)-N-methylazetidin-3-amine.
What is the SMILES notation for 1-(4-chloro-2,5-dimethoxyphenyl)-N-methylazetidin-3-amine?
The canonical SMILES for 1-(4-chloro-2,5-dimethoxyphenyl)-N-methylazetidin-3-amine is CNC1CN(c2cc(OC)c(Cl)cc2OC)C1.
What is the InChIKey of 1-(4-chloro-2,5-dimethoxyphenyl)-N-methylazetidin-3-amine?
The InChIKey is YPLYSHVLSQVJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-14-8-6-15(7-8)10-5-11(16-2)9(13)4-12(10)17-3/h4-5,8,14H,6-7H2,1-3H3.
What are the key properties of 1-(4-chloro-2,5-dimethoxyphenyl)-N-methylazetidin-3-amine?
1-(4-chloro-2,5-dimethoxyphenyl)-N-methylazetidin-3-amine has a molecular weight of 256.73 g/mol, XLogP of 1.77, 4 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)-N-methylazetidin-3-amine is sourced from PubChem (CID 117002959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).