1-(3,4-dimethoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine

C14H23NO2 — CID 117347561

IUPAC1-(3,4-dimethoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
SMILESCOc1c(C)cc(CC(C)(C)N)c(C)c1OC
InChIInChI=1S/C14H23NO2/c1-9-7-11(8-14(3,4)15)10(2)13(17-6)12(9)16-5/h7H,8,15H2,1-6H3
InChIKeyWGKGNMPCCDOSIS-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.60
Rot. Bonds4

About 1-(3,4-dimethoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine

1-(3,4-dimethoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine (PubChem CID 117347561) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(3,4-dimethoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
PubChem CID117347561
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(3,4-dimethoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
SMILESCOc1c(C)cc(CC(C)(C)N)c(C)c1OC
InChIInChI=1S/C14H23NO2/c1-9-7-11(8-14(3,4)15)10(2)13(17-6)12(9)16-5/h7H,8,15H2,1-6H3
InChIKeyWGKGNMPCCDOSIS-UHFFFAOYSA-N
XLogP2.60
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-amino-2-methylpropyl)-2-methoxy-3,6-dimethylphenol
CID 117320492
1-(5-chloro-3-methoxy-2,4-dimethylphenyl)-2-methylpropan-2-amine
CID 117356697
6-(2-amino-2-methylpropyl)-2-methoxy-3,4-dimethylphenol
CID 117320493
1-(3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-amine
CID 117320489
1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 82126568
1-(5-chloro-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine
CID 117398192
1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine
CID 117486842
2-methyl-1-(2,4,5-trimethylphenyl)propan-2-amine
CID 82281489
6-(2-amino-2-methylpropyl)-4-bromo-3-methoxy-2-methylphenol
CID 117465337
1-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]-2-methylpropan-2-amine
CID 117396642
1-(3-bromo-2,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117465340
2-(4-methoxy-2,3,5-trimethylphenyl)propane-1,2-diamine
CID 116855587

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3,4-dimethoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine (CID 117347561) is 1-(3,4-dimethoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3,4-dimethoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3,4-dimethoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine is COc1c(C)cc(CC(C)(C)N)c(C)c1OC.
What is the InChIKey of 1-(3,4-dimethoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine?
The InChIKey is WGKGNMPCCDOSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-9-7-11(8-14(3,4)15)10(2)13(17-6)12(9)16-5/h7H,8,15H2,1-6H3.
What are the key properties of 1-(3,4-dimethoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine?
1-(3,4-dimethoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 117347561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).