1-(2,5-dimethoxy-4-methylphenyl)-N-methylbutan-2-amine

C14H23NO2 — CID 112513297

IUPAC1-(2,5-dimethoxy-4-methylphenyl)-N-methylbutan-2-amine
SMILESCCC(Cc1cc(OC)c(C)cc1OC)NC
InChIInChI=1S/C14H23NO2/c1-6-12(15-3)8-11-9-13(16-4)10(2)7-14(11)17-5/h7,9,12,15H,6,8H2,1-5H3
InChIKeyXMJNHCAIEXMHGQ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.55
Rot. Bonds6

About 1-(2,5-dimethoxy-4-methylphenyl)-N-methylbutan-2-amine

1-(2,5-dimethoxy-4-methylphenyl)-N-methylbutan-2-amine (PubChem CID 112513297) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(2,5-dimethoxy-4-methylphenyl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethoxy-4-methylphenyl)-N-methylbutan-2-amine
PubChem CID112513297
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(2,5-dimethoxy-4-methylphenyl)-N-methylbutan-2-amine
SMILESCCC(Cc1cc(OC)c(C)cc1OC)NC
InChIInChI=1S/C14H23NO2/c1-6-12(15-3)8-11-9-13(16-4)10(2)7-14(11)17-5/h7,9,12,15H,6,8H2,1-5H3
InChIKeyXMJNHCAIEXMHGQ-UHFFFAOYSA-N
XLogP2.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dimethoxy-4-methylphenyl)-N-methylbutan-2-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

1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine;ethane
CID 176553687
1-(2,5-dimethoxy-4-methylphenyl)-N-propan-2-ylpropan-2-amine
CID 112513449
1-(4,5-dimethoxy-2-nitrophenyl)-N-methylbutan-2-amine
CID 83007872
1-(5-chloro-4-ethoxy-2-methylphenyl)-N-methylbutan-2-amine
CID 112513504
1-[(2S)-1-(2,5-dimethoxy-4-methylphenyl)butan-2-yl]-3-naphthalen-1-ylurea
CID 1204851
2-amino-3-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
CID 176947219
1-(3-ethyl-4-methoxyphenyl)-N-methylbutan-2-amine
CID 112513153
N-[(2,5-dimethoxy-4-methylphenyl)methyl]propan-2-amine
CID 95446206
1-[3-(2,5-dimethoxy-4-methylphenyl)propyl]-2,5-dimethoxy-4-methylbenzene
CID 4096780
N-methyl-1-(2-methylphenyl)butan-2-amine
CID 60820425
2-(2,5-dimethoxy-4-methylphenyl)-N-ethylethanamine
CID 98783839
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxy-4-methylphenyl)-N-methylbutan-2-amine?
The IUPAC name of 1-(2,5-dimethoxy-4-methylphenyl)-N-methylbutan-2-amine (CID 112513297) is 1-(2,5-dimethoxy-4-methylphenyl)-N-methylbutan-2-amine.
What is the SMILES notation for 1-(2,5-dimethoxy-4-methylphenyl)-N-methylbutan-2-amine?
The canonical SMILES for 1-(2,5-dimethoxy-4-methylphenyl)-N-methylbutan-2-amine is CCC(Cc1cc(OC)c(C)cc1OC)NC.
What is the InChIKey of 1-(2,5-dimethoxy-4-methylphenyl)-N-methylbutan-2-amine?
The InChIKey is XMJNHCAIEXMHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-6-12(15-3)8-11-9-13(16-4)10(2)7-14(11)17-5/h7,9,12,15H,6,8H2,1-5H3.
What are the key properties of 1-(2,5-dimethoxy-4-methylphenyl)-N-methylbutan-2-amine?
1-(2,5-dimethoxy-4-methylphenyl)-N-methylbutan-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxy-4-methylphenyl)-N-methylbutan-2-amine is sourced from PubChem (CID 112513297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).