2-(aminomethoxy)ethyl 4-propylbenzoate

C13H19NO3 — CID 144917762

IUPAC2-(aminomethoxy)ethyl 4-propylbenzoate
SMILESCCCc1ccc(C(=O)OCCOCN)cc1
InChIInChI=1S/C13H19NO3/c1-2-3-11-4-6-12(7-5-11)13(15)17-9-8-16-10-14/h4-7H,2-3,8-10,14H2,1H3
InChIKeySCLARGWHELPIIX-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.73
Rot. Bonds7

About 2-(aminomethoxy)ethyl 4-propylbenzoate

2-(aminomethoxy)ethyl 4-propylbenzoate (PubChem CID 144917762) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(aminomethoxy)ethyl 4-propylbenzoate.

Molecular Properties

Compound Name2-(aminomethoxy)ethyl 4-propylbenzoate
PubChem CID144917762
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(aminomethoxy)ethyl 4-propylbenzoate
SMILESCCCc1ccc(C(=O)OCCOCN)cc1
InChIInChI=1S/C13H19NO3/c1-2-3-11-4-6-12(7-5-11)13(15)17-9-8-16-10-14/h4-7H,2-3,8-10,14H2,1H3
InChIKeySCLARGWHELPIIX-UHFFFAOYSA-N
XLogP1.73
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(aminomethoxy)ethyl 4-propylbenzoate 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-(4-methylpentoxy)ethyl 4-propylbenzoate
CID 140608691
(4-propoxycarbonylphenyl) 4-propylbenzoate
CID 54267228
2-(aminomethoxy)ethyl benzoate
CID 89228347
2-hexoxyethyl 4-butylbenzoate
CID 140608518
2-octoxyethyl 4-butylbenzoate
CID 140608616
4-propylbenzoic acid;propyl 4-hydroxybenzoate
CID 158237935
heptyl 4-butylbenzoate
CID 530533
octyl 4-butylbenzoate
CID 518663
hexadecyl 4-butylbenzoate
CID 530539
methane;1-O-methyl 4-O-(2-propoxyethyl) benzene-1,4-dicarboxylate
CID 157160392
pentyl 4-(4-butylphenyl)benzoate
CID 70501993
2-[2-[2-[2-(4-acetylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 4-acetylbenzoate
CID 157029099

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethoxy)ethyl 4-propylbenzoate?
The IUPAC name of 2-(aminomethoxy)ethyl 4-propylbenzoate (CID 144917762) is 2-(aminomethoxy)ethyl 4-propylbenzoate.
What is the SMILES notation for 2-(aminomethoxy)ethyl 4-propylbenzoate?
The canonical SMILES for 2-(aminomethoxy)ethyl 4-propylbenzoate is CCCc1ccc(C(=O)OCCOCN)cc1.
What is the InChIKey of 2-(aminomethoxy)ethyl 4-propylbenzoate?
The InChIKey is SCLARGWHELPIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-2-3-11-4-6-12(7-5-11)13(15)17-9-8-16-10-14/h4-7H,2-3,8-10,14H2,1H3.
What are the key properties of 2-(aminomethoxy)ethyl 4-propylbenzoate?
2-(aminomethoxy)ethyl 4-propylbenzoate has a molecular weight of 237.30 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethoxy)ethyl 4-propylbenzoate is sourced from PubChem (CID 144917762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).