1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine

C13H16ClN3O2 — CID 131927462

IUPAC1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine
SMILESCOc1ccc(Cl)cc1CN(C)Cc1nonc1C
InChIInChI=1S/C13H16ClN3O2/c1-9-12(16-19-15-9)8-17(2)7-10-6-11(14)4-5-13(10)18-3/h4-6H,7-8H2,1-3H3
InChIKeyWTZLOZLQCGSEBR-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.67
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine

1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine (PubChem CID 131927462) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine
PubChem CID131927462
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine
SMILESCOc1ccc(Cl)cc1CN(C)Cc1nonc1C
InChIInChI=1S/C13H16ClN3O2/c1-9-12(16-19-15-9)8-17(2)7-10-6-11(14)4-5-13(10)18-3/h4-6H,7-8H2,1-3H3
InChIKeyWTZLOZLQCGSEBR-UHFFFAOYSA-N
XLogP2.67
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine with MolForge

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Related Compounds

[2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 60921813
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
CID 32761183
[3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120750716
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropan-2-amine
CID 78821316
methyl 5-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 35115828
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-3-methoxy-N-methylpropan-1-amine
CID 80691132
1-[(5-chloro-2-methoxyphenyl)methyl-propan-2-ylamino]propan-2-ol
CID 111107828
2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 138003767
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 86911707
N'-[(5-chloro-2-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62592250
4-chloro-2-(fluoromethyl)-1-methoxybenzene
CID 142810663

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine (CID 131927462) is 1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine is COc1ccc(Cl)cc1CN(C)Cc1nonc1C.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine?
The InChIKey is WTZLOZLQCGSEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-9-12(16-19-15-9)8-17(2)7-10-6-11(14)4-5-13(10)18-3/h4-6H,7-8H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine?
1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine has a molecular weight of 281.74 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine is sourced from PubChem (CID 131927462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).