3,5-dimethoxy-2-propylaniline

C11H17NO2 — CID 141261453

IUPAC3,5-dimethoxy-2-propylaniline
SMILESCCCc1c(N)cc(OC)cc1OC
InChIInChI=1S/C11H17NO2/c1-4-5-9-10(12)6-8(13-2)7-11(9)14-3/h6-7H,4-5,12H2,1-3H3
InChIKeyNQSJXOZFOQYRQC-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.24
Rot. Bonds4

About 3,5-dimethoxy-2-propylaniline

3,5-dimethoxy-2-propylaniline (PubChem CID 141261453) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3,5-dimethoxy-2-propylaniline.

Molecular Properties

Compound Name3,5-dimethoxy-2-propylaniline
PubChem CID141261453
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3,5-dimethoxy-2-propylaniline
SMILESCCCc1c(N)cc(OC)cc1OC
InChIInChI=1S/C11H17NO2/c1-4-5-9-10(12)6-8(13-2)7-11(9)14-3/h6-7H,4-5,12H2,1-3H3
InChIKeyNQSJXOZFOQYRQC-UHFFFAOYSA-N
XLogP2.24
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,5-dimethoxy-2-propylaniline 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

3-methoxy-2-propylaniline
CID 70555018
3-(aminomethyl)-4,5-dimethoxy-2-propylaniline
CID 23346964
1,3-difluoro-5-methoxy-2-propylbenzene
CID 89112657
3,5-dimethoxy-2-methylaniline;hydrochloride
CID 91663006
2-(iodomethyl)-1,3,5-trimethoxybenzene
CID 10946751
N-ethyl-N-methyl-2-(2,4,6-trimethoxyphenyl)ethanamine
CID 115259613
3-ethoxy-2-fluoro-5-methoxyaniline
CID 18444807
4-(2-ethyl-3,5-dimethoxyphenyl)butan-1-amine
CID 117347671
1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117346889
N-[(2,4,6-trimethoxyphenyl)methyl]pentan-1-amine
CID 43090921
3-(2-chloro-4,6-dimethoxyphenyl)propan-1-amine
CID 117331589
2-(5-bromopentyl)-1,3,5-trimethoxybenzene
CID 56956628

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-2-propylaniline?
The IUPAC name of 3,5-dimethoxy-2-propylaniline (CID 141261453) is 3,5-dimethoxy-2-propylaniline.
What is the SMILES notation for 3,5-dimethoxy-2-propylaniline?
The canonical SMILES for 3,5-dimethoxy-2-propylaniline is CCCc1c(N)cc(OC)cc1OC.
What is the InChIKey of 3,5-dimethoxy-2-propylaniline?
The InChIKey is NQSJXOZFOQYRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-5-9-10(12)6-8(13-2)7-11(9)14-3/h6-7H,4-5,12H2,1-3H3.
What are the key properties of 3,5-dimethoxy-2-propylaniline?
3,5-dimethoxy-2-propylaniline has a molecular weight of 195.26 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-2-propylaniline is sourced from PubChem (CID 141261453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).