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

C11H15ClN2 — CID 117002914

IUPAC1-(5-chloro-2-methylphenyl)-N-methylazetidin-3-amine
SMILESCNC1CN(c2cc(Cl)ccc2C)C1
InChIInChI=1S/C11H15ClN2/c1-8-3-4-9(12)5-11(8)14-6-10(7-14)13-2/h3-5,10,13H,6-7H2,1-2H3
InChIKeyHOEODCVMUDIMAN-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.06
Rot. Bonds2

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

1-(5-chloro-2-methylphenyl)-N-methylazetidin-3-amine (PubChem CID 117002914) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-N-methylazetidin-3-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-N-methylazetidin-3-amine
PubChem CID117002914
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name1-(5-chloro-2-methylphenyl)-N-methylazetidin-3-amine
SMILESCNC1CN(c2cc(Cl)ccc2C)C1
InChIInChI=1S/C11H15ClN2/c1-8-3-4-9(12)5-11(8)14-6-10(7-14)13-2/h3-5,10,13H,6-7H2,1-2H3
InChIKeyHOEODCVMUDIMAN-UHFFFAOYSA-N
XLogP2.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methylphenyl)-N-methylpyrrolidin-3-amine
CID 60862449
1-(5-chloro-2-methoxyphenyl)-N-methylazetidin-3-amine
CID 117002920
1-(5-chloro-2-methylphenyl)-N-propylpyrrolidin-3-amine
CID 60862451
1-(5-chloro-2-methylphenyl)-N-ethylpiperidin-4-amine
CID 54927324
1-(4-chlorophenyl)-N-methylazetidin-3-amine
CID 117002912
[4-(5-chloro-2-methylphenyl)-6-methylmorpholin-2-yl]methanamine
CID 82299005
1-(5-chloro-2-methylphenyl)piperazine
CID 693767
1-(5-chloro-2-methylphenyl)aziridine-2-carbonitrile
CID 117009821
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
4-(5-chloro-2-methylphenyl)morpholine-2-carbonitrile
CID 117009748
2-[4-(5-chloro-2-methylphenyl)morpholin-2-yl]ethanamine
CID 82299003
1-(5-chloro-2-methylphenyl)-4-methylsulfonylpiperazine
CID 900483

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-N-methylazetidin-3-amine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-N-methylazetidin-3-amine (CID 117002914) is 1-(5-chloro-2-methylphenyl)-N-methylazetidin-3-amine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-N-methylazetidin-3-amine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-N-methylazetidin-3-amine is CNC1CN(c2cc(Cl)ccc2C)C1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-N-methylazetidin-3-amine?
The InChIKey is HOEODCVMUDIMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-8-3-4-9(12)5-11(8)14-6-10(7-14)13-2/h3-5,10,13H,6-7H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-N-methylazetidin-3-amine?
1-(5-chloro-2-methylphenyl)-N-methylazetidin-3-amine has a molecular weight of 210.71 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-N-methylazetidin-3-amine is sourced from PubChem (CID 117002914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).