2-methoxy-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine

C14H23NO2 — CID 116757522

IUPAC2-methoxy-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine
SMILESCCC(C)(OC)C(N)c1ccc(OC)cc1C
InChIInChI=1S/C14H23NO2/c1-6-14(3,17-5)13(15)12-8-7-11(16-4)9-10(12)2/h7-9,13H,6,15H2,1-5H3
InChIKeySNAODJTVWNHUHZ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.82
Rot. Bonds5

About 2-methoxy-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine

2-methoxy-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine (PubChem CID 116757522) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-methoxy-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-methoxy-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine
PubChem CID116757522
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-methoxy-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine
SMILESCCC(C)(OC)C(N)c1ccc(OC)cc1C
InChIInChI=1S/C14H23NO2/c1-6-14(3,17-5)13(15)12-8-7-11(16-4)9-10(12)2/h7-9,13H,6,15H2,1-5H3
InChIKeySNAODJTVWNHUHZ-UHFFFAOYSA-N
XLogP2.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine?
The IUPAC name of 2-methoxy-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine (CID 116757522) is 2-methoxy-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine.
What is the SMILES notation for 2-methoxy-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine?
The canonical SMILES for 2-methoxy-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine is CCC(C)(OC)C(N)c1ccc(OC)cc1C.
What is the InChIKey of 2-methoxy-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine?
The InChIKey is SNAODJTVWNHUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-6-14(3,17-5)13(15)12-8-7-11(16-4)9-10(12)2/h7-9,13H,6,15H2,1-5H3.
What are the key properties of 2-methoxy-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine?
2-methoxy-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine is sourced from PubChem (CID 116757522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).