3-(aminomethyl)-4,5-dimethoxy-2-propylaniline

C12H20N2O2 — CID 23346964

IUPAC3-(aminomethyl)-4,5-dimethoxy-2-propylaniline
SMILESCCCc1c(N)cc(OC)c(OC)c1CN
InChIInChI=1S/C12H20N2O2/c1-4-5-8-9(7-13)12(16-3)11(15-2)6-10(8)14/h6H,4-5,7,13-14H2,1-3H3
InChIKeyGUYQKPXLQCFTAZ-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.70
Rot. Bonds5

About 3-(aminomethyl)-4,5-dimethoxy-2-propylaniline

3-(aminomethyl)-4,5-dimethoxy-2-propylaniline (PubChem CID 23346964) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-(aminomethyl)-4,5-dimethoxy-2-propylaniline.

Molecular Properties

Compound Name3-(aminomethyl)-4,5-dimethoxy-2-propylaniline
PubChem CID23346964
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-(aminomethyl)-4,5-dimethoxy-2-propylaniline
SMILESCCCc1c(N)cc(OC)c(OC)c1CN
InChIInChI=1S/C12H20N2O2/c1-4-5-8-9(7-13)12(16-3)11(15-2)6-10(8)14/h6H,4-5,7,13-14H2,1-3H3
InChIKeyGUYQKPXLQCFTAZ-UHFFFAOYSA-N
XLogP1.70
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethoxy-2-propylaniline
CID 141261453
(2-bromo-5,6-dimethoxy-3-methylphenyl)methanamine
CID 84710081
3-methoxy-2-propylaniline
CID 70555018
1,2-dimethoxy-3-methyl-5-propylbenzene;ethane
CID 142056687
4-hydroxy-3,5-dimethoxy-2-propylbenzamide
CID 166451177
3,5-bis(aminomethyl)-2,4-dimethoxyaniline
CID 23346962
3-amino-2-ethyl-4,5-dimethoxybenzoic acid
CID 84689670
6-amino-2-hydroxy-3,4-dimethoxybenzoic acid
CID 84782545
4,5-dimethoxy-3-methylbenzene-1,2-diamine
CID 13006980
(2,4-dimethoxy-3,6-dimethylphenyl)methanamine
CID 84666288
2-(3-aminopropyl)-3-bromo-4,5-dimethoxyphenol
CID 117468532
2,3,5,6-tetramethoxyaniline
CID 19093015

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4,5-dimethoxy-2-propylaniline?
The IUPAC name of 3-(aminomethyl)-4,5-dimethoxy-2-propylaniline (CID 23346964) is 3-(aminomethyl)-4,5-dimethoxy-2-propylaniline.
What is the SMILES notation for 3-(aminomethyl)-4,5-dimethoxy-2-propylaniline?
The canonical SMILES for 3-(aminomethyl)-4,5-dimethoxy-2-propylaniline is CCCc1c(N)cc(OC)c(OC)c1CN.
What is the InChIKey of 3-(aminomethyl)-4,5-dimethoxy-2-propylaniline?
The InChIKey is GUYQKPXLQCFTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-5-8-9(7-13)12(16-3)11(15-2)6-10(8)14/h6H,4-5,7,13-14H2,1-3H3.
What are the key properties of 3-(aminomethyl)-4,5-dimethoxy-2-propylaniline?
3-(aminomethyl)-4,5-dimethoxy-2-propylaniline has a molecular weight of 224.30 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4,5-dimethoxy-2-propylaniline is sourced from PubChem (CID 23346964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).