2-methoxy-N-[(4-propyl-1,3-dioxolan-2-yl)methyl]aniline

C14H21NO3 — CID 23338370

IUPAC2-methoxy-N-[(4-propyl-1,3-dioxolan-2-yl)methyl]aniline
SMILESCCCC1COC(CNc2ccccc2OC)O1
InChIInChI=1S/C14H21NO3/c1-3-6-11-10-17-14(18-11)9-15-12-7-4-5-8-13(12)16-2/h4-5,7-8,11,14-15H,3,6,9-10H2,1-2H3
InChIKeyBTJZDQMSHUQAJE-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.65
Rot. Bonds6

About 2-methoxy-N-[(4-propyl-1,3-dioxolan-2-yl)methyl]aniline

2-methoxy-N-[(4-propyl-1,3-dioxolan-2-yl)methyl]aniline (PubChem CID 23338370) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-methoxy-N-[(4-propyl-1,3-dioxolan-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-methoxy-N-[(4-propyl-1,3-dioxolan-2-yl)methyl]aniline
PubChem CID23338370
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-methoxy-N-[(4-propyl-1,3-dioxolan-2-yl)methyl]aniline
SMILESCCCC1COC(CNc2ccccc2OC)O1
InChIInChI=1S/C14H21NO3/c1-3-6-11-10-17-14(18-11)9-15-12-7-4-5-8-13(12)16-2/h4-5,7-8,11,14-15H,3,6,9-10H2,1-2H3
InChIKeyBTJZDQMSHUQAJE-UHFFFAOYSA-N
XLogP2.65
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-N-[(4-propyl-1,3-dioxolan-2-yl)methyl]aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(4-propyl-1,3-dioxolan-2-yl)methyl]aniline?
The IUPAC name of 2-methoxy-N-[(4-propyl-1,3-dioxolan-2-yl)methyl]aniline (CID 23338370) is 2-methoxy-N-[(4-propyl-1,3-dioxolan-2-yl)methyl]aniline.
What is the SMILES notation for 2-methoxy-N-[(4-propyl-1,3-dioxolan-2-yl)methyl]aniline?
The canonical SMILES for 2-methoxy-N-[(4-propyl-1,3-dioxolan-2-yl)methyl]aniline is CCCC1COC(CNc2ccccc2OC)O1.
What is the InChIKey of 2-methoxy-N-[(4-propyl-1,3-dioxolan-2-yl)methyl]aniline?
The InChIKey is BTJZDQMSHUQAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-6-11-10-17-14(18-11)9-15-12-7-4-5-8-13(12)16-2/h4-5,7-8,11,14-15H,3,6,9-10H2,1-2H3.
What are the key properties of 2-methoxy-N-[(4-propyl-1,3-dioxolan-2-yl)methyl]aniline?
2-methoxy-N-[(4-propyl-1,3-dioxolan-2-yl)methyl]aniline has a molecular weight of 251.33 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(4-propyl-1,3-dioxolan-2-yl)methyl]aniline is sourced from PubChem (CID 23338370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).