N-[(3,4-dimethoxyphenyl)methyl]-2-methylpentan-2-amine

C15H25NO2 — CID 113234422

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-methylpentan-2-amine
SMILESCCCC(C)(C)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H25NO2/c1-6-9-15(2,3)16-11-12-7-8-13(17-4)14(10-12)18-5/h7-8,10,16H,6,9,11H2,1-5H3
InChIKeyRWHLLTGGUISGPZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.37
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-2-methylpentan-2-amine

N-[(3,4-dimethoxyphenyl)methyl]-2-methylpentan-2-amine (PubChem CID 113234422) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-methylpentan-2-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-methylpentan-2-amine
PubChem CID113234422
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-methylpentan-2-amine
SMILESCCCC(C)(C)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H25NO2/c1-6-9-15(2,3)16-11-12-7-8-13(17-4)14(10-12)18-5/h7-8,10,16H,6,9,11H2,1-5H3
InChIKeyRWHLLTGGUISGPZ-UHFFFAOYSA-N
XLogP3.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpentan-2-amine
CID 115621687
N-[(4-methoxy-3-methylphenyl)methyl]-2-methylpentan-2-amine
CID 115621623
2-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115132665
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]propan-2-amine
CID 19868328
2-[(3,4-dimethoxyphenyl)methylamino]-2-methylpropanenitrile
CID 28702633
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717191
N-[(3-methoxy-4-pentoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847727
2-[2-methoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol
CID 17211061
4-(3,3-dimethylhexyl)-1,2-dimethoxybenzene
CID 134479395
3-[(3-bromo-4-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 111469026
3-N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-3-methylbutane-1,3-diamine
CID 115134689
3-(3,4-dimethoxyphenyl)-N-(2-methylpentan-2-yl)propanamide
CID 49366734

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-methylpentan-2-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-methylpentan-2-amine (CID 113234422) is N-[(3,4-dimethoxyphenyl)methyl]-2-methylpentan-2-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-methylpentan-2-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-methylpentan-2-amine is CCCC(C)(C)NCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-methylpentan-2-amine?
The InChIKey is RWHLLTGGUISGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-9-15(2,3)16-11-12-7-8-13(17-4)14(10-12)18-5/h7-8,10,16H,6,9,11H2,1-5H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-methylpentan-2-amine?
N-[(3,4-dimethoxyphenyl)methyl]-2-methylpentan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-methylpentan-2-amine is sourced from PubChem (CID 113234422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).