propan-2-yl 2-[2-chloro-6-(propylaminomethyl)phenoxy]acetate

C15H22ClNO3 — CID 115953158

IUPACpropan-2-yl 2-[2-chloro-6-(propylaminomethyl)phenoxy]acetate
SMILESCCCNCc1cccc(Cl)c1OCC(=O)OC(C)C
InChIInChI=1S/C15H22ClNO3/c1-4-8-17-9-12-6-5-7-13(16)15(12)19-10-14(18)20-11(2)3/h5-7,11,17H,4,8-10H2,1-3H3
InChIKeyUQSFEIPPZXRLFH-UHFFFAOYSA-N
MW299.80 g/mol
LogP3.17
Rot. Bonds8

About propan-2-yl 2-[2-chloro-6-(propylaminomethyl)phenoxy]acetate

propan-2-yl 2-[2-chloro-6-(propylaminomethyl)phenoxy]acetate (PubChem CID 115953158) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is propan-2-yl 2-[2-chloro-6-(propylaminomethyl)phenoxy]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[2-chloro-6-(propylaminomethyl)phenoxy]acetate
PubChem CID115953158
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Namepropan-2-yl 2-[2-chloro-6-(propylaminomethyl)phenoxy]acetate
SMILESCCCNCc1cccc(Cl)c1OCC(=O)OC(C)C
InChIInChI=1S/C15H22ClNO3/c1-4-8-17-9-12-6-5-7-13(16)15(12)19-10-14(18)20-11(2)3/h5-7,11,17H,4,8-10H2,1-3H3
InChIKeyUQSFEIPPZXRLFH-UHFFFAOYSA-N
XLogP3.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze propan-2-yl 2-[2-chloro-6-(propylaminomethyl)phenoxy]acetate 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

propan-2-yl 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 115954842
propan-2-yl 2-(2,6-dichlorophenoxy)acetate
CID 60643376
N-[(3-chloro-2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 112609432
2-[2-chloro-6-(propylaminomethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 115953102
methyl 4-[2-chloro-6-(propylaminomethyl)phenoxy]butanoate
CID 115953074
propan-2-yl 2-[2-methyl-6-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 115954358
2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-propan-2-ylacetamide
CID 115954939
2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 112610532
4-[2-chloro-6-(propylaminomethyl)phenoxy]butanenitrile
CID 112609440
N-[(2-but-2-ynoxy-3-chlorophenyl)methyl]propan-1-amine
CID 112609473
propan-2-yl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate
CID 115954250
ethyl 2-[2-chloro-6-(methylaminomethyl)phenoxy]acetate
CID 112608576

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[2-chloro-6-(propylaminomethyl)phenoxy]acetate?
The IUPAC name of propan-2-yl 2-[2-chloro-6-(propylaminomethyl)phenoxy]acetate (CID 115953158) is propan-2-yl 2-[2-chloro-6-(propylaminomethyl)phenoxy]acetate.
What is the SMILES notation for propan-2-yl 2-[2-chloro-6-(propylaminomethyl)phenoxy]acetate?
The canonical SMILES for propan-2-yl 2-[2-chloro-6-(propylaminomethyl)phenoxy]acetate is CCCNCc1cccc(Cl)c1OCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[2-chloro-6-(propylaminomethyl)phenoxy]acetate?
The InChIKey is UQSFEIPPZXRLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-4-8-17-9-12-6-5-7-13(16)15(12)19-10-14(18)20-11(2)3/h5-7,11,17H,4,8-10H2,1-3H3.
What are the key properties of propan-2-yl 2-[2-chloro-6-(propylaminomethyl)phenoxy]acetate?
propan-2-yl 2-[2-chloro-6-(propylaminomethyl)phenoxy]acetate has a molecular weight of 299.80 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[2-chloro-6-(propylaminomethyl)phenoxy]acetate is sourced from PubChem (CID 115953158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).