4-methoxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylbutan-1-amine

C15H25NO2 — CID 104625005

IUPAC4-methoxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylbutan-1-amine
SMILESCOCCC(C)(C)CNCc1cccc(OC)c1
InChIInChI=1S/C15H25NO2/c1-15(2,8-9-17-3)12-16-11-13-6-5-7-14(10-13)18-4/h5-7,10,16H,8-9,11-12H2,1-4H3
InChIKeyFBAOVOYNVBBWIJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.85
Rot. Bonds8

About 4-methoxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylbutan-1-amine

4-methoxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylbutan-1-amine (PubChem CID 104625005) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-methoxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylbutan-1-amine
PubChem CID104625005
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-methoxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylbutan-1-amine
SMILESCOCCC(C)(C)CNCc1cccc(OC)c1
InChIInChI=1S/C15H25NO2/c1-15(2,8-9-17-3)12-16-11-13-6-5-7-14(10-13)18-4/h5-7,10,16H,8-9,11-12H2,1-4H3
InChIKeyFBAOVOYNVBBWIJ-UHFFFAOYSA-N
XLogP2.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897679
2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104625291
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104625168
2-ethyl-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylbutan-1-amine
CID 103702080
5-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]-2-methylaniline
CID 114125893
N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methoxyphenyl)acetamide
CID 103772274
N-(4-amino-2,2-dimethylbutyl)-2-(3-methoxyphenyl)acetamide
CID 106140187
N-[(2,6-dimethylphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104625041
N-(hydrazinylmethyl)-1-(3-methoxyphenyl)methanamine
CID 115260862
N-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 54940038
4-(2-methoxyethoxy)-N-[(3-methoxyphenyl)methyl]aniline
CID 43734134

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylbutan-1-amine?
The IUPAC name of 4-methoxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylbutan-1-amine (CID 104625005) is 4-methoxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-methoxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylbutan-1-amine?
The canonical SMILES for 4-methoxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylbutan-1-amine is COCCC(C)(C)CNCc1cccc(OC)c1.
What is the InChIKey of 4-methoxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylbutan-1-amine?
The InChIKey is FBAOVOYNVBBWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-15(2,8-9-17-3)12-16-11-13-6-5-7-14(10-13)18-4/h5-7,10,16H,8-9,11-12H2,1-4H3.
What are the key properties of 4-methoxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylbutan-1-amine?
4-methoxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylbutan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 104625005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).