3-(1-phenoxypropan-2-yloxy)propan-1-amine

C12H19NO2 — CID 117067435

IUPAC3-(1-phenoxypropan-2-yloxy)propan-1-amine
SMILESCC(COc1ccccc1)OCCCN
InChIInChI=1S/C12H19NO2/c1-11(14-9-5-8-13)10-15-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10,13H2,1H3
InChIKeyPLNOJQSZHGXTBH-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.82
Rot. Bonds7

About 3-(1-phenoxypropan-2-yloxy)propan-1-amine

3-(1-phenoxypropan-2-yloxy)propan-1-amine (PubChem CID 117067435) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(1-phenoxypropan-2-yloxy)propan-1-amine.

Molecular Properties

Compound Name3-(1-phenoxypropan-2-yloxy)propan-1-amine
PubChem CID117067435
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-(1-phenoxypropan-2-yloxy)propan-1-amine
SMILESCC(COc1ccccc1)OCCCN
InChIInChI=1S/C12H19NO2/c1-11(14-9-5-8-13)10-15-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10,13H2,1H3
InChIKeyPLNOJQSZHGXTBH-UHFFFAOYSA-N
XLogP1.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1-phenoxypropan-2-yloxy)propan-1-amine 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-(1-phenoxypropan-2-yloxy)ethyl 2-methylprop-2-enoate
CID 170549371
2-(2-cyclohexylethoxy)propoxybenzene
CID 71174964
3-(4-phenoxybutoxy)propan-1-amine
CID 82352658
4-(2-butoxypropoxy)benzoic acid
CID 150329257
3-[2-(2-phenoxyethoxy)ethoxy]propan-1-amine
CID 21297450
1-phenoxypropan-2-yl 2-propoxypropanoate
CID 173394224
bis(bis(1-phenoxypropan-2-yloxy)-diphenylsilane);propane
CID 91174551
3-[4-(3-aminopropoxy)phenoxy]propan-1-amine
CID 3650737
CID 142401703
CID 142401703
ethane;1-phenoxypropan-2-ol;propane
CID 90979198
5-(4-phenoxybutoxy)pentan-1-amine
CID 82352887
3-(2-amino-1-phenylethoxy)propan-1-amine
CID 70040020

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenoxypropan-2-yloxy)propan-1-amine?
The IUPAC name of 3-(1-phenoxypropan-2-yloxy)propan-1-amine (CID 117067435) is 3-(1-phenoxypropan-2-yloxy)propan-1-amine.
What is the SMILES notation for 3-(1-phenoxypropan-2-yloxy)propan-1-amine?
The canonical SMILES for 3-(1-phenoxypropan-2-yloxy)propan-1-amine is CC(COc1ccccc1)OCCCN.
What is the InChIKey of 3-(1-phenoxypropan-2-yloxy)propan-1-amine?
The InChIKey is PLNOJQSZHGXTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-11(14-9-5-8-13)10-15-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10,13H2,1H3.
What are the key properties of 3-(1-phenoxypropan-2-yloxy)propan-1-amine?
3-(1-phenoxypropan-2-yloxy)propan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenoxypropan-2-yloxy)propan-1-amine is sourced from PubChem (CID 117067435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).