N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylcyclohexanamine

C17H27NO — CID 783691

IUPACN-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylcyclohexanamine
SMILESCOc1ccc(CN(C)C2CCCCC2)c(C)c1C
InChIInChI=1S/C17H27NO/c1-13-14(2)17(19-4)11-10-15(13)12-18(3)16-8-6-5-7-9-16/h10-11,16H,5-9,12H2,1-4H3
InChIKeyUAGMUBGSIRLFRR-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.08
Rot. Bonds4

About N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylcyclohexanamine

N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylcyclohexanamine (PubChem CID 783691) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylcyclohexanamine
PubChem CID783691
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylcyclohexanamine
SMILESCOc1ccc(CN(C)C2CCCCC2)c(C)c1C
InChIInChI=1S/C17H27NO/c1-13-14(2)17(19-4)11-10-15(13)12-18(3)16-8-6-5-7-9-16/h10-11,16H,5-9,12H2,1-4H3
InChIKeyUAGMUBGSIRLFRR-UHFFFAOYSA-N
XLogP4.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylcyclohexanamine?
The IUPAC name of N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylcyclohexanamine (CID 783691) is N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylcyclohexanamine.
What is the SMILES notation for N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylcyclohexanamine?
The canonical SMILES for N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylcyclohexanamine is COc1ccc(CN(C)C2CCCCC2)c(C)c1C.
What is the InChIKey of N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylcyclohexanamine?
The InChIKey is UAGMUBGSIRLFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-14(2)17(19-4)11-10-15(13)12-18(3)16-8-6-5-7-9-16/h10-11,16H,5-9,12H2,1-4H3.
What are the key properties of N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylcyclohexanamine?
N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylcyclohexanamine has a molecular weight of 261.41 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylcyclohexanamine is sourced from PubChem (CID 783691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).