1-(3,5-dimethoxyphenyl)-N,2,3-trimethylbutan-1-amine

C15H25NO2 — CID 105013578

IUPAC1-(3,5-dimethoxyphenyl)-N,2,3-trimethylbutan-1-amine
SMILESCNC(c1cc(OC)cc(OC)c1)C(C)C(C)C
InChIInChI=1S/C15H25NO2/c1-10(2)11(3)15(16-4)12-7-13(17-5)9-14(8-12)18-6/h7-11,15-16H,1-6H3
InChIKeyPXWKIIBCZMWHHT-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.26
Rot. Bonds6

About 1-(3,5-dimethoxyphenyl)-N,2,3-trimethylbutan-1-amine

1-(3,5-dimethoxyphenyl)-N,2,3-trimethylbutan-1-amine (PubChem CID 105013578) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-N,2,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-N,2,3-trimethylbutan-1-amine
PubChem CID105013578
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(3,5-dimethoxyphenyl)-N,2,3-trimethylbutan-1-amine
SMILESCNC(c1cc(OC)cc(OC)c1)C(C)C(C)C
InChIInChI=1S/C15H25NO2/c1-10(2)11(3)15(16-4)12-7-13(17-5)9-14(8-12)18-6/h7-11,15-16H,1-6H3
InChIKeyPXWKIIBCZMWHHT-UHFFFAOYSA-N
XLogP3.26
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,5-dimethoxyphenyl)-N,2,3-trimethylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-1-(3-methoxyphenyl)-N,3-dimethylbutan-1-amine
CID 116719987
1-(4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine
CID 43482752
1-(2-methoxyphenyl)-N,2,3-trimethylbutan-1-amine
CID 115792789
[1-(3,5-dimethoxyphenyl)-2,2-difluoroethyl]hydrazine
CID 105265210
1-(3-methoxyphenyl)-1-(methylamino)propan-2-ol
CID 116859509
[1-(3,5-dimethoxyphenyl)-2-methylsulfonylpropyl]hydrazine
CID 105323905
N,2,3-trimethyl-1-(4-propoxyphenyl)butan-1-amine
CID 115853346
N,2,3-trimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine
CID 105022959
1-(3,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43481801
1-[(3,5-dimethoxyphenyl)-methoxymethyl]-3,5-dimethoxybenzene
CID 126607837
phosphane;1,3,5-trimethoxybenzene
CID 175232895
1-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 43481310

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-N,2,3-trimethylbutan-1-amine?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-N,2,3-trimethylbutan-1-amine (CID 105013578) is 1-(3,5-dimethoxyphenyl)-N,2,3-trimethylbutan-1-amine.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-N,2,3-trimethylbutan-1-amine?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-N,2,3-trimethylbutan-1-amine is CNC(c1cc(OC)cc(OC)c1)C(C)C(C)C.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-N,2,3-trimethylbutan-1-amine?
The InChIKey is PXWKIIBCZMWHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-10(2)11(3)15(16-4)12-7-13(17-5)9-14(8-12)18-6/h7-11,15-16H,1-6H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-N,2,3-trimethylbutan-1-amine?
1-(3,5-dimethoxyphenyl)-N,2,3-trimethylbutan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-N,2,3-trimethylbutan-1-amine is sourced from PubChem (CID 105013578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).