1-(3-amino-5-propoxyanilino)propan-2-ol

C12H20N2O2 — CID 80721564

IUPAC1-(3-amino-5-propoxyanilino)propan-2-ol
SMILESCCCOc1cc(N)cc(NCC(C)O)c1
InChIInChI=1S/C12H20N2O2/c1-3-4-16-12-6-10(13)5-11(7-12)14-8-9(2)15/h5-7,9,14-15H,3-4,8,13H2,1-2H3
InChIKeyJIGJQYVIKRQCPZ-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.85
Rot. Bonds6

About 1-(3-amino-5-propoxyanilino)propan-2-ol

1-(3-amino-5-propoxyanilino)propan-2-ol (PubChem CID 80721564) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(3-amino-5-propoxyanilino)propan-2-ol.

Molecular Properties

Compound Name1-(3-amino-5-propoxyanilino)propan-2-ol
PubChem CID80721564
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-(3-amino-5-propoxyanilino)propan-2-ol
SMILESCCCOc1cc(N)cc(NCC(C)O)c1
InChIInChI=1S/C12H20N2O2/c1-3-4-16-12-6-10(13)5-11(7-12)14-8-9(2)15/h5-7,9,14-15H,3-4,8,13H2,1-2H3
InChIKeyJIGJQYVIKRQCPZ-UHFFFAOYSA-N
XLogP1.85
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3-amino-5-propoxyanilino)propan-2-ol 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

5-propoxy-3-N-(2,3,3-trimethylbutyl)benzene-1,3-diamine
CID 83142729
5-(3-amino-5-propoxyanilino)pentan-2-ol
CID 106119873
3-N-(2-propan-2-yloxyethyl)-5-propoxybenzene-1,3-diamine
CID 104758765
1-(3-amino-5-propoxyanilino)-2-methylpropan-2-ol
CID 80735376
(2R)-1-(4-propoxyanilino)propan-2-ol
CID 106932070
3-N-[2-[di(propan-2-yl)amino]ethyl]-5-propoxybenzene-1,3-diamine
CID 80726917
3-N-(3-methylbutan-2-yl)-5-propoxybenzene-1,3-diamine
CID 80723697
5-propoxy-3-N-(3,3,3-trifluoropropyl)benzene-1,3-diamine
CID 80734994
3-N-(3-methoxypropyl)-5-propoxybenzene-1,3-diamine
CID 80721832
3-(3-amino-5-propoxyanilino)-2,2-dimethylpropanamide
CID 106275272
3-N-(2-ethoxy-2-methylpropyl)-5-propoxybenzene-1,3-diamine
CID 114940615
3-N-(3,5-dimethylphenyl)-5-propoxybenzene-1,3-diamine
CID 80722258

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-propoxyanilino)propan-2-ol?
The IUPAC name of 1-(3-amino-5-propoxyanilino)propan-2-ol (CID 80721564) is 1-(3-amino-5-propoxyanilino)propan-2-ol.
What is the SMILES notation for 1-(3-amino-5-propoxyanilino)propan-2-ol?
The canonical SMILES for 1-(3-amino-5-propoxyanilino)propan-2-ol is CCCOc1cc(N)cc(NCC(C)O)c1.
What is the InChIKey of 1-(3-amino-5-propoxyanilino)propan-2-ol?
The InChIKey is JIGJQYVIKRQCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-4-16-12-6-10(13)5-11(7-12)14-8-9(2)15/h5-7,9,14-15H,3-4,8,13H2,1-2H3.
What are the key properties of 1-(3-amino-5-propoxyanilino)propan-2-ol?
1-(3-amino-5-propoxyanilino)propan-2-ol has a molecular weight of 224.30 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-propoxyanilino)propan-2-ol is sourced from PubChem (CID 80721564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).