N-[(4-methoxy-3-methylphenyl)methyl]-N-methylcyclohexanamine

C16H25NO — CID 757580

IUPACN-[(4-methoxy-3-methylphenyl)methyl]-N-methylcyclohexanamine
SMILESCOc1ccc(CN(C)C2CCCCC2)cc1C
InChIInChI=1S/C16H25NO/c1-13-11-14(9-10-16(13)18-3)12-17(2)15-7-5-4-6-8-15/h9-11,15H,4-8,12H2,1-3H3
InChIKeyYDCADMWACCNXFD-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.77
Rot. Bonds4

About N-[(4-methoxy-3-methylphenyl)methyl]-N-methylcyclohexanamine

N-[(4-methoxy-3-methylphenyl)methyl]-N-methylcyclohexanamine (PubChem CID 757580) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[(4-methoxy-3-methylphenyl)methyl]-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-[(4-methoxy-3-methylphenyl)methyl]-N-methylcyclohexanamine
PubChem CID757580
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[(4-methoxy-3-methylphenyl)methyl]-N-methylcyclohexanamine
SMILESCOc1ccc(CN(C)C2CCCCC2)cc1C
InChIInChI=1S/C16H25NO/c1-13-11-14(9-10-16(13)18-3)12-17(2)15-7-5-4-6-8-15/h9-11,15H,4-8,12H2,1-3H3
InChIKeyYDCADMWACCNXFD-UHFFFAOYSA-N
XLogP3.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-N-methylcyclohexanamine?
The IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-N-methylcyclohexanamine (CID 757580) is N-[(4-methoxy-3-methylphenyl)methyl]-N-methylcyclohexanamine.
What is the SMILES notation for N-[(4-methoxy-3-methylphenyl)methyl]-N-methylcyclohexanamine?
The canonical SMILES for N-[(4-methoxy-3-methylphenyl)methyl]-N-methylcyclohexanamine is COc1ccc(CN(C)C2CCCCC2)cc1C.
What is the InChIKey of N-[(4-methoxy-3-methylphenyl)methyl]-N-methylcyclohexanamine?
The InChIKey is YDCADMWACCNXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-11-14(9-10-16(13)18-3)12-17(2)15-7-5-4-6-8-15/h9-11,15H,4-8,12H2,1-3H3.
What are the key properties of N-[(4-methoxy-3-methylphenyl)methyl]-N-methylcyclohexanamine?
N-[(4-methoxy-3-methylphenyl)methyl]-N-methylcyclohexanamine has a molecular weight of 247.38 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-methylphenyl)methyl]-N-methylcyclohexanamine is sourced from PubChem (CID 757580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).