1-(5-chloro-2-methoxyphenyl)-N-methylazetidin-3-amine

C11H15ClN2O — CID 117002920

IUPAC1-(5-chloro-2-methoxyphenyl)-N-methylazetidin-3-amine
SMILESCNC1CN(c2cc(Cl)ccc2OC)C1
InChIInChI=1S/C11H15ClN2O/c1-13-9-6-14(7-9)10-5-8(12)3-4-11(10)15-2/h3-5,9,13H,6-7H2,1-2H3
InChIKeyFJPQIQGRXOZHQO-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.76
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)-N-methylazetidin-3-amine

1-(5-chloro-2-methoxyphenyl)-N-methylazetidin-3-amine (PubChem CID 117002920) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N-methylazetidin-3-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N-methylazetidin-3-amine
PubChem CID117002920
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N-methylazetidin-3-amine
SMILESCNC1CN(c2cc(Cl)ccc2OC)C1
InChIInChI=1S/C11H15ClN2O/c1-13-9-6-14(7-9)10-5-8(12)3-4-11(10)15-2/h3-5,9,13H,6-7H2,1-2H3
InChIKeyFJPQIQGRXOZHQO-UHFFFAOYSA-N
XLogP1.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2,5-dimethoxyphenyl)-N-methylazetidin-3-amine
CID 117002959
1-(5-chloro-2-methylphenyl)-N-methylazetidin-3-amine
CID 117002914
1-(5-chloro-2-methoxyphenyl)pyrrolidine
CID 82538228
(3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-amine
CID 51663668
N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-1-hydroxycyclopentane-1-carboxamide
CID 110922757
2-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 119873204
3-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-1,1,2-trimethylguanidine;hydroiodide
CID 111917398
N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide
CID 119873197
1-(5-chloro-2-methoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-amine
CID 119110656
3-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]butanamide
CID 119873215
(2R,6S)-N-[(3S)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide
CID 99819959
1-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2,3-diethylguanidine
CID 110927886

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-methylazetidin-3-amine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-methylazetidin-3-amine (CID 117002920) is 1-(5-chloro-2-methoxyphenyl)-N-methylazetidin-3-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N-methylazetidin-3-amine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N-methylazetidin-3-amine is CNC1CN(c2cc(Cl)ccc2OC)C1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N-methylazetidin-3-amine?
The InChIKey is FJPQIQGRXOZHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-13-9-6-14(7-9)10-5-8(12)3-4-11(10)15-2/h3-5,9,13H,6-7H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N-methylazetidin-3-amine?
1-(5-chloro-2-methoxyphenyl)-N-methylazetidin-3-amine has a molecular weight of 226.71 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-N-methylazetidin-3-amine is sourced from PubChem (CID 117002920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).