N-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclohexanamine

C16H25NO — CID 775174

IUPACN-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclohexanamine
SMILESCOc1cc(C)c(CNC2CCCCC2)cc1C
InChIInChI=1S/C16H25NO/c1-12-10-16(18-3)13(2)9-14(12)11-17-15-7-5-4-6-8-15/h9-10,15,17H,4-8,11H2,1-3H3
InChIKeyQKPXHXPLAWJIAQ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.73
Rot. Bonds4

About N-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclohexanamine

N-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclohexanamine (PubChem CID 775174) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclohexanamine
PubChem CID775174
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclohexanamine
SMILESCOc1cc(C)c(CNC2CCCCC2)cc1C
InChIInChI=1S/C16H25NO/c1-12-10-16(18-3)13(2)9-14(12)11-17-15-7-5-4-6-8-15/h9-10,15,17H,4-8,11H2,1-3H3
InChIKeyQKPXHXPLAWJIAQ-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclohexanamine?
The IUPAC name of N-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclohexanamine (CID 775174) is N-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclohexanamine?
The canonical SMILES for N-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclohexanamine is COc1cc(C)c(CNC2CCCCC2)cc1C.
What is the InChIKey of N-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclohexanamine?
The InChIKey is QKPXHXPLAWJIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-10-16(18-3)13(2)9-14(12)11-17-15-7-5-4-6-8-15/h9-10,15,17H,4-8,11H2,1-3H3.
What are the key properties of N-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclohexanamine?
N-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclohexanamine has a molecular weight of 247.38 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclohexanamine is sourced from PubChem (CID 775174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).