5-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine

C16H27NO — CID 65092092

IUPAC5-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
SMILESCNC(CCCOC)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C16H27NO/c1-12-9-13(2)16(14(3)10-12)11-15(17-4)7-6-8-18-5/h9-10,15,17H,6-8,11H2,1-5H3
InChIKeyYXIKUMYFEPDHJI-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.17
Rot. Bonds7

About 5-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine

5-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine (PubChem CID 65092092) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 5-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine.

Molecular Properties

Compound Name5-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
PubChem CID65092092
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name5-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
SMILESCNC(CCCOC)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C16H27NO/c1-12-9-13(2)16(14(3)10-12)11-15(17-4)7-6-8-18-5/h9-10,15,17H,6-8,11H2,1-5H3
InChIKeyYXIKUMYFEPDHJI-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-N-methyl-1-(4-methylphenyl)pentan-2-amine
CID 62603606
1-(2,5-dimethylphenyl)-6-methoxy-N-methylhexan-2-amine
CID 112754817
4-methoxy-N,4-dimethyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 103025022
N-methyl-1-propan-2-ylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 65132056
2-(5-methoxypentyl)-1,3,5-trimethylbenzene
CID 143283296
5-ethoxy-N-propyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 105121210
1-(3,5-dimethylphenyl)-N-ethyl-5-methoxypentan-2-amine
CID 62605123
5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine
CID 65092154
3-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 79615967
N-methyl-1-phenoxy-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 62715678
4-[5-methoxy-2-(methylamino)pentyl]pyridin-2-amine
CID 65091866
5-methoxy-N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine
CID 114856059

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine?
The IUPAC name of 5-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine (CID 65092092) is 5-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine.
What is the SMILES notation for 5-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine?
The canonical SMILES for 5-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine is CNC(CCCOC)Cc1c(C)cc(C)cc1C.
What is the InChIKey of 5-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine?
The InChIKey is YXIKUMYFEPDHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-12-9-13(2)16(14(3)10-12)11-15(17-4)7-6-8-18-5/h9-10,15,17H,6-8,11H2,1-5H3.
What are the key properties of 5-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine?
5-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine is sourced from PubChem (CID 65092092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).