4-(2-methoxy-4,5-dimethylphenyl)-N-methylcyclohexan-1-amine

C16H25NO — CID 116962660

IUPAC4-(2-methoxy-4,5-dimethylphenyl)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(c2cc(C)c(C)cc2OC)CC1
InChIInChI=1S/C16H25NO/c1-11-9-15(16(18-4)10-12(11)2)13-5-7-14(17-3)8-6-13/h9-10,13-14,17H,5-8H2,1-4H3
InChIKeyPXBGSGOOZGZILY-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.56
Rot. Bonds3

About 4-(2-methoxy-4,5-dimethylphenyl)-N-methylcyclohexan-1-amine

4-(2-methoxy-4,5-dimethylphenyl)-N-methylcyclohexan-1-amine (PubChem CID 116962660) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-(2-methoxy-4,5-dimethylphenyl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methoxy-4,5-dimethylphenyl)-N-methylcyclohexan-1-amine
PubChem CID116962660
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-(2-methoxy-4,5-dimethylphenyl)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(c2cc(C)c(C)cc2OC)CC1
InChIInChI=1S/C16H25NO/c1-11-9-15(16(18-4)10-12(11)2)13-5-7-14(17-3)8-6-13/h9-10,13-14,17H,5-8H2,1-4H3
InChIKeyPXBGSGOOZGZILY-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-4,5-dimethylphenyl)-N-methylcyclohexan-1-amine?
The IUPAC name of 4-(2-methoxy-4,5-dimethylphenyl)-N-methylcyclohexan-1-amine (CID 116962660) is 4-(2-methoxy-4,5-dimethylphenyl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-(2-methoxy-4,5-dimethylphenyl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-(2-methoxy-4,5-dimethylphenyl)-N-methylcyclohexan-1-amine is CNC1CCC(c2cc(C)c(C)cc2OC)CC1.
What is the InChIKey of 4-(2-methoxy-4,5-dimethylphenyl)-N-methylcyclohexan-1-amine?
The InChIKey is PXBGSGOOZGZILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-9-15(16(18-4)10-12(11)2)13-5-7-14(17-3)8-6-13/h9-10,13-14,17H,5-8H2,1-4H3.
What are the key properties of 4-(2-methoxy-4,5-dimethylphenyl)-N-methylcyclohexan-1-amine?
4-(2-methoxy-4,5-dimethylphenyl)-N-methylcyclohexan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-4,5-dimethylphenyl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 116962660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).