1-(3,4-dimethoxyphenyl)-4,4-dimethylpentan-3-amine

C15H25NO2 — CID 64503243

IUPAC1-(3,4-dimethoxyphenyl)-4,4-dimethylpentan-3-amine
SMILESCOc1ccc(CCC(N)C(C)(C)C)cc1OC
InChIInChI=1S/C15H25NO2/c1-15(2,3)14(16)9-7-11-6-8-12(17-4)13(10-11)18-5/h6,8,10,14H,7,9,16H2,1-5H3
InChIKeyZVYIMJMDQKANHL-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.01
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-4,4-dimethylpentan-3-amine

1-(3,4-dimethoxyphenyl)-4,4-dimethylpentan-3-amine (PubChem CID 64503243) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-4,4-dimethylpentan-3-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-4,4-dimethylpentan-3-amine
PubChem CID64503243
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(3,4-dimethoxyphenyl)-4,4-dimethylpentan-3-amine
SMILESCOc1ccc(CCC(N)C(C)(C)C)cc1OC
InChIInChI=1S/C15H25NO2/c1-15(2,3)14(16)9-7-11-6-8-12(17-4)13(10-11)18-5/h6,8,10,14H,7,9,16H2,1-5H3
InChIKeyZVYIMJMDQKANHL-UHFFFAOYSA-N
XLogP3.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-4,4-dimethylpentan-3-amine
CID 79700883
1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503950
1-[3-[(2-methoxyphenoxy)methyl]phenyl]-4,4-dimethylpentan-3-amine
CID 82184828
4-(3,4-dimethoxyphenyl)-2-methylbutan-2-amine
CID 91666775
4-(3,3-diethoxypropyl)-1,2-dimethoxybenzene
CID 16637893
5-(3,4-dimethoxyphenyl)-N,3-dimethylpentan-1-amine
CID 65304508
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
1-(3,4-dichlorophenyl)-4,4-dimethylpentan-3-amine
CID 43175882
1-(3,4-dimethoxyphenyl)hexane-3,4-diol
CID 83928894
4-(3-chlorohexyl)-1,2-dimethoxybenzene
CID 64513550
4-(3,4-dimethoxyphenyl)-1-methoxybutan-2-ol
CID 79422604
4-(3-bromohexyl)-1,2-dimethoxybenzene
CID 64506935

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-4,4-dimethylpentan-3-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-4,4-dimethylpentan-3-amine (CID 64503243) is 1-(3,4-dimethoxyphenyl)-4,4-dimethylpentan-3-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-4,4-dimethylpentan-3-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-4,4-dimethylpentan-3-amine is COc1ccc(CCC(N)C(C)(C)C)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-4,4-dimethylpentan-3-amine?
The InChIKey is ZVYIMJMDQKANHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-15(2,3)14(16)9-7-11-6-8-12(17-4)13(10-11)18-5/h6,8,10,14H,7,9,16H2,1-5H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-4,4-dimethylpentan-3-amine?
1-(3,4-dimethoxyphenyl)-4,4-dimethylpentan-3-amine has a molecular weight of 251.37 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-4,4-dimethylpentan-3-amine is sourced from PubChem (CID 64503243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).