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

C15H18ClN3O — CID 84599060

IUPAC1-(4-chlorophenyl)-1-(2-methylcyclopropyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
SMILESCc1nnc(CNC(c2ccc(Cl)cc2)C2CC2C)o1
InChIInChI=1S/C15H18ClN3O/c1-9-7-13(9)15(11-3-5-12(16)6-4-11)17-8-14-19-18-10(2)20-14/h3-6,9,13,15,17H,7-8H2,1-2H3
InChIKeyVYBVYCGCVRXPCB-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.52
Rot. Bonds5

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

1-(4-chlorophenyl)-1-(2-methylcyclopropyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine (PubChem CID 84599060) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(2-methylcyclopropyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(2-methylcyclopropyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
PubChem CID84599060
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name1-(4-chlorophenyl)-1-(2-methylcyclopropyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
SMILESCc1nnc(CNC(c2ccc(Cl)cc2)C2CC2C)o1
InChIInChI=1S/C15H18ClN3O/c1-9-7-13(9)15(11-3-5-12(16)6-4-11)17-8-14-19-18-10(2)20-14/h3-6,9,13,15,17H,7-8H2,1-2H3
InChIKeyVYBVYCGCVRXPCB-UHFFFAOYSA-N
XLogP3.52
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(2-methylcyclopropyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(4-chlorophenyl)-1-(2-methylcyclopropyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine (CID 84599060) is 1-(4-chlorophenyl)-1-(2-methylcyclopropyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(2-methylcyclopropyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-1-(2-methylcyclopropyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine is Cc1nnc(CNC(c2ccc(Cl)cc2)C2CC2C)o1.
What is the InChIKey of 1-(4-chlorophenyl)-1-(2-methylcyclopropyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The InChIKey is VYBVYCGCVRXPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-9-7-13(9)15(11-3-5-12(16)6-4-11)17-8-14-19-18-10(2)20-14/h3-6,9,13,15,17H,7-8H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-1-(2-methylcyclopropyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
1-(4-chlorophenyl)-1-(2-methylcyclopropyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine has a molecular weight of 291.78 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-(2-methylcyclopropyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 84599060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).