4-methoxy-2-(4-methoxyphenyl)-3-methylbutan-2-amine

C13H21NO2 — CID 115624966

IUPAC4-methoxy-2-(4-methoxyphenyl)-3-methylbutan-2-amine
SMILESCOCC(C)C(C)(N)c1ccc(OC)cc1
InChIInChI=1S/C13H21NO2/c1-10(9-15-3)13(2,14)11-5-7-12(16-4)8-6-11/h5-8,10H,9,14H2,1-4H3
InChIKeyAAPISZPXNMDXTG-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.15
Rot. Bonds5

About 4-methoxy-2-(4-methoxyphenyl)-3-methylbutan-2-amine

4-methoxy-2-(4-methoxyphenyl)-3-methylbutan-2-amine (PubChem CID 115624966) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-methoxy-2-(4-methoxyphenyl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name4-methoxy-2-(4-methoxyphenyl)-3-methylbutan-2-amine
PubChem CID115624966
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-methoxy-2-(4-methoxyphenyl)-3-methylbutan-2-amine
SMILESCOCC(C)C(C)(N)c1ccc(OC)cc1
InChIInChI=1S/C13H21NO2/c1-10(9-15-3)13(2,14)11-5-7-12(16-4)8-6-11/h5-8,10H,9,14H2,1-4H3
InChIKeyAAPISZPXNMDXTG-UHFFFAOYSA-N
XLogP2.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-4-methoxy-3-methylbutan-2-amine
CID 115624963
2-(4-ethylphenyl)-4-methoxy-3-methylbutan-2-amine
CID 115624979
3-methyl-2-(4-propoxyphenyl)pentan-2-amine
CID 55120756
1,2-bis(4-methoxyphenyl)propan-2-amine
CID 63273092
(2S)-1,1-bis(4-methoxyphenyl)propane-1,2-diamine
CID 58794752
(2R)-1,1-bis(4-methoxyphenyl)propane-1,2-diamine
CID 134991044
(2R)-4-(4-methoxyphenyl)-4-methylpentan-2-amine
CID 42077610
(1R)-1-iodo-1-(4-methoxyphenyl)ethanamine
CID 68562835
(2R)-1,1-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-amine
CID 161003813
2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine
CID 43829854
3-fluoro-3-(4-methoxyphenyl)butan-2-amine
CID 105450720
2-(4-methoxyphenyl)pentan-2-amine
CID 43810210

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4-methoxyphenyl)-3-methylbutan-2-amine?
The IUPAC name of 4-methoxy-2-(4-methoxyphenyl)-3-methylbutan-2-amine (CID 115624966) is 4-methoxy-2-(4-methoxyphenyl)-3-methylbutan-2-amine.
What is the SMILES notation for 4-methoxy-2-(4-methoxyphenyl)-3-methylbutan-2-amine?
The canonical SMILES for 4-methoxy-2-(4-methoxyphenyl)-3-methylbutan-2-amine is COCC(C)C(C)(N)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-2-(4-methoxyphenyl)-3-methylbutan-2-amine?
The InChIKey is AAPISZPXNMDXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(9-15-3)13(2,14)11-5-7-12(16-4)8-6-11/h5-8,10H,9,14H2,1-4H3.
What are the key properties of 4-methoxy-2-(4-methoxyphenyl)-3-methylbutan-2-amine?
4-methoxy-2-(4-methoxyphenyl)-3-methylbutan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(4-methoxyphenyl)-3-methylbutan-2-amine is sourced from PubChem (CID 115624966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).