[1-(4-chloro-2-methoxy-5-methylphenyl)aziridin-2-yl]methanamine

C11H15ClN2O — CID 117010135

IUPAC[1-(4-chloro-2-methoxy-5-methylphenyl)aziridin-2-yl]methanamine
SMILESCOc1cc(Cl)c(C)cc1N1CC1CN
InChIInChI=1S/C11H15ClN2O/c1-7-3-10(14-6-8(14)5-13)11(15-2)4-9(7)12/h3-4,8H,5-6,13H2,1-2H3
InChIKeyOBTKFJPUKSHDIM-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.80
Rot. Bonds3

About [1-(4-chloro-2-methoxy-5-methylphenyl)aziridin-2-yl]methanamine

[1-(4-chloro-2-methoxy-5-methylphenyl)aziridin-2-yl]methanamine (PubChem CID 117010135) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is [1-(4-chloro-2-methoxy-5-methylphenyl)aziridin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(4-chloro-2-methoxy-5-methylphenyl)aziridin-2-yl]methanamine
PubChem CID117010135
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name[1-(4-chloro-2-methoxy-5-methylphenyl)aziridin-2-yl]methanamine
SMILESCOc1cc(Cl)c(C)cc1N1CC1CN
InChIInChI=1S/C11H15ClN2O/c1-7-3-10(14-6-8(14)5-13)11(15-2)4-9(7)12/h3-4,8H,5-6,13H2,1-2H3
InChIKeyOBTKFJPUKSHDIM-UHFFFAOYSA-N
XLogP1.80
TPSA38.26 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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidin-3-amine
CID 117018172
4-(4-chloro-2-methoxy-5-methylphenyl)-1,2,4-triazole
CID 50983973
4-(aminomethyl)-1-(5-chloro-2-methoxy-4-methylphenyl)pyrrolidin-2-one
CID 83556585
N-[[1-(4-chloro-2-methoxy-5-methylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512560
1-(4-chloro-2-methoxy-5-methylphenyl)piperidin-4-one
CID 24692834
1-chloro-5-methoxy-2,4-dimethylbenzene
CID 18683267
[1-(4-chloro-2-methoxy-5-methylphenyl)-5-ethyltriazol-4-yl]methanamine
CID 82197582
3-butan-2-yl-1-(4-chloro-2-methoxy-5-methylphenyl)-1,4-diazepane
CID 64944553
2-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dihydroisoindol-4-amine
CID 43370124
1-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpiperidin-4-amine
CID 60861458
N'-(5-chloro-2-methoxy-4-methylphenyl)methanediamine
CID 115225402
4-(5-chloro-2-methoxy-4-methylphenyl)butan-2-amine
CID 82473812

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-2-methoxy-5-methylphenyl)aziridin-2-yl]methanamine?
The IUPAC name of [1-(4-chloro-2-methoxy-5-methylphenyl)aziridin-2-yl]methanamine (CID 117010135) is [1-(4-chloro-2-methoxy-5-methylphenyl)aziridin-2-yl]methanamine.
What is the SMILES notation for [1-(4-chloro-2-methoxy-5-methylphenyl)aziridin-2-yl]methanamine?
The canonical SMILES for [1-(4-chloro-2-methoxy-5-methylphenyl)aziridin-2-yl]methanamine is COc1cc(Cl)c(C)cc1N1CC1CN.
What is the InChIKey of [1-(4-chloro-2-methoxy-5-methylphenyl)aziridin-2-yl]methanamine?
The InChIKey is OBTKFJPUKSHDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-7-3-10(14-6-8(14)5-13)11(15-2)4-9(7)12/h3-4,8H,5-6,13H2,1-2H3.
What are the key properties of [1-(4-chloro-2-methoxy-5-methylphenyl)aziridin-2-yl]methanamine?
[1-(4-chloro-2-methoxy-5-methylphenyl)aziridin-2-yl]methanamine has a molecular weight of 226.71 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-2-methoxy-5-methylphenyl)aziridin-2-yl]methanamine is sourced from PubChem (CID 117010135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).