N-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethylbutan-2-amine

C15H25NO2 — CID 115623243

IUPACN-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
SMILESCOc1ccc(OC)c(CNC(C)C(C)(C)C)c1
InChIInChI=1S/C15H25NO2/c1-11(15(2,3)4)16-10-12-9-13(17-5)7-8-14(12)18-6/h7-9,11,16H,10H2,1-6H3
InChIKeyHMAYJMIMLTWDFS-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.23
Rot. Bonds5

About N-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethylbutan-2-amine

N-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethylbutan-2-amine (PubChem CID 115623243) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
PubChem CID115623243
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
SMILESCOc1ccc(OC)c(CNC(C)C(C)(C)C)c1
InChIInChI=1S/C15H25NO2/c1-11(15(2,3)4)16-10-12-9-13(17-5)7-8-14(12)18-6/h7-9,11,16H,10H2,1-6H3
InChIKeyHMAYJMIMLTWDFS-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-2-amine
CID 115623175
N-[(2,5-dimethoxyphenyl)methyl]butan-2-amine
CID 43177332
(2R)-2-[(2,5-dimethoxyphenyl)methylamino]propanoic acid
CID 51690896
1-[(2,5-dimethoxyphenyl)methylamino]-3,3-dimethylbutan-2-ol
CID 111119235
N-[(2,5-dimethoxyphenyl)methyl]-4-propan-2-yloxyaniline
CID 39424379
N-[(4-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutan-2-amine
CID 104827856
N-[(2,5-dimethoxyphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43222018
(2S)-N-[(2,5-dimethoxyphenyl)methyl]heptan-2-amine
CID 93035260
N-[(2,5-dimethoxyphenyl)methyl]-4-methylsulfanylbutan-2-amine
CID 113239134
N-[(2-ethoxy-5-methoxyphenyl)methyl]propan-2-amine
CID 43276423
N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 43400255
1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine
CID 43080290

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethylbutan-2-amine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethylbutan-2-amine (CID 115623243) is N-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethylbutan-2-amine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethylbutan-2-amine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethylbutan-2-amine is COc1ccc(OC)c(CNC(C)C(C)(C)C)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethylbutan-2-amine?
The InChIKey is HMAYJMIMLTWDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11(15(2,3)4)16-10-12-9-13(17-5)7-8-14(12)18-6/h7-9,11,16H,10H2,1-6H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethylbutan-2-amine?
N-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethylbutan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 115623243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).