5-(4-methoxy-2,3,6-trimethylphenyl)-4-methylpentan-2-amine

C16H27NO — CID 83939352

IUPAC5-(4-methoxy-2,3,6-trimethylphenyl)-4-methylpentan-2-amine
SMILESCOc1cc(C)c(CC(C)CC(C)N)c(C)c1C
InChIInChI=1S/C16H27NO/c1-10(7-12(3)17)8-15-11(2)9-16(18-6)14(5)13(15)4/h9-10,12H,7-8,17H2,1-6H3
InChIKeyDXMMKFSYFAQOGZ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.54
Rot. Bonds5

About 5-(4-methoxy-2,3,6-trimethylphenyl)-4-methylpentan-2-amine

5-(4-methoxy-2,3,6-trimethylphenyl)-4-methylpentan-2-amine (PubChem CID 83939352) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 5-(4-methoxy-2,3,6-trimethylphenyl)-4-methylpentan-2-amine.

Molecular Properties

Compound Name5-(4-methoxy-2,3,6-trimethylphenyl)-4-methylpentan-2-amine
PubChem CID83939352
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name5-(4-methoxy-2,3,6-trimethylphenyl)-4-methylpentan-2-amine
SMILESCOc1cc(C)c(CC(C)CC(C)N)c(C)c1C
InChIInChI=1S/C16H27NO/c1-10(7-12(3)17)8-15-11(2)9-16(18-6)14(5)13(15)4/h9-10,12H,7-8,17H2,1-6H3
InChIKeyDXMMKFSYFAQOGZ-UHFFFAOYSA-N
XLogP3.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine
CID 116924769
1-(4-methoxy-2,3,6-trimethylphenyl)propan-2-ol
CID 117114494
2-amino-3-(4-methoxy-2,3,6-trimethylphenyl)propanenitrile
CID 116851197
1-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]propane-1,2-diamine
CID 115196603
4-(4-amino-2-methylpentyl)-3,5-dimethylphenol
CID 83923476
1-methoxy-2,3,5-trimethyl-4-(2-methylhex-3-ynyl)benzene
CID 83939358
1-N-(4-methoxy-2,3,6-trimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196463
2-(3-bromo-2-methylpropyl)-1-methoxy-3,5-dimethylbenzene
CID 106681362
1-(3,4-dimethoxy-2,6-dimethylphenyl)propan-2-ol
CID 117322324
(1S)-1-(4-methoxy-2,3,6-trimethylphenyl)ethanamine
CID 95423636
1-(3,5-dimethoxy-4-methylphenyl)propan-2-amine;hydrochloride
CID 168891432
(2,4-dimethoxy-3,6-dimethylphenyl)methanamine
CID 84666288

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-2,3,6-trimethylphenyl)-4-methylpentan-2-amine?
The IUPAC name of 5-(4-methoxy-2,3,6-trimethylphenyl)-4-methylpentan-2-amine (CID 83939352) is 5-(4-methoxy-2,3,6-trimethylphenyl)-4-methylpentan-2-amine.
What is the SMILES notation for 5-(4-methoxy-2,3,6-trimethylphenyl)-4-methylpentan-2-amine?
The canonical SMILES for 5-(4-methoxy-2,3,6-trimethylphenyl)-4-methylpentan-2-amine is COc1cc(C)c(CC(C)CC(C)N)c(C)c1C.
What is the InChIKey of 5-(4-methoxy-2,3,6-trimethylphenyl)-4-methylpentan-2-amine?
The InChIKey is DXMMKFSYFAQOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-10(7-12(3)17)8-15-11(2)9-16(18-6)14(5)13(15)4/h9-10,12H,7-8,17H2,1-6H3.
What are the key properties of 5-(4-methoxy-2,3,6-trimethylphenyl)-4-methylpentan-2-amine?
5-(4-methoxy-2,3,6-trimethylphenyl)-4-methylpentan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-2,3,6-trimethylphenyl)-4-methylpentan-2-amine is sourced from PubChem (CID 83939352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).