3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine

C14H23NO — CID 116924769

IUPAC3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine
SMILESCOc1cc(C)c(CC(C)CN)c(C)c1C
InChIInChI=1S/C14H23NO/c1-9(8-15)6-13-10(2)7-14(16-5)12(4)11(13)3/h7,9H,6,8,15H2,1-5H3
InChIKeyZQNSDRMPFHVEFA-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.76
Rot. Bonds4

About 3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine

3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine (PubChem CID 116924769) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine
PubChem CID116924769
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine
SMILESCOc1cc(C)c(CC(C)CN)c(C)c1C
InChIInChI=1S/C14H23NO/c1-9(8-15)6-13-10(2)7-14(16-5)12(4)11(13)3/h7,9H,6,8,15H2,1-5H3
InChIKeyZQNSDRMPFHVEFA-UHFFFAOYSA-N
XLogP2.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-methoxy-2,3,6-trimethylphenyl)-4-methylpentan-2-amine
CID 83939352
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-methoxy-2,3,5-trimethyl-4-(2-methylhex-3-ynyl)benzene
CID 83939358
(2,4-dimethoxy-3,6-dimethylphenyl)methanamine
CID 84666288
3-(4-methoxy-3-methylphenyl)-2-methylpropan-1-amine
CID 83818376
1-(3,4-dimethoxy-2,6-dimethylphenyl)propan-2-ol
CID 117322324
1-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]propane-1,2-diamine
CID 115196603
(4-methoxy-2,3,6-trimethylphenyl)methanesulfonamide
CID 150791377
2-[(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-amine
CID 116931118
N'-[2-(4-methoxy-2,3,6-trimethylphenyl)ethyl]-N'-methylmethanediamine
CID 115226303
2-[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]propanoic acid
CID 117041978

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine?
The IUPAC name of 3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine (CID 116924769) is 3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine is COc1cc(C)c(CC(C)CN)c(C)c1C.
What is the InChIKey of 3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine?
The InChIKey is ZQNSDRMPFHVEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-9(8-15)6-13-10(2)7-14(16-5)12(4)11(13)3/h7,9H,6,8,15H2,1-5H3.
What are the key properties of 3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine?
3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 116924769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).