1-(2-aminopropylamino)-3-phenoxypropan-2-ol

C12H20N2O2 — CID 54410968

IUPAC1-(2-aminopropylamino)-3-phenoxypropan-2-ol
SMILESCC(N)CNCC(O)COc1ccccc1
InChIInChI=1S/C12H20N2O2/c1-10(13)7-14-8-11(15)9-16-12-5-3-2-4-6-12/h2-6,10-11,14-15H,7-9,13H2,1H3
InChIKeyVUCRWUDBPTWIFE-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.36
Rot. Bonds7

About 1-(2-aminopropylamino)-3-phenoxypropan-2-ol

1-(2-aminopropylamino)-3-phenoxypropan-2-ol (PubChem CID 54410968) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(2-aminopropylamino)-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-(2-aminopropylamino)-3-phenoxypropan-2-ol
PubChem CID54410968
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-(2-aminopropylamino)-3-phenoxypropan-2-ol
SMILESCC(N)CNCC(O)COc1ccccc1
InChIInChI=1S/C12H20N2O2/c1-10(13)7-14-8-11(15)9-16-12-5-3-2-4-6-12/h2-6,10-11,14-15H,7-9,13H2,1H3
InChIKeyVUCRWUDBPTWIFE-UHFFFAOYSA-N
XLogP0.36
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(2-aminopropylamino)-3-phenoxypropan-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

(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
1-(2-aminopropylamino)-3-[4-[[4-[3-(2-aminopropylamino)-2-hydroxypropoxy]phenyl]methyl]phenoxy]propan-2-ol
CID 126581078
(2R)-1-(2,2-dimethoxyethylamino)-3-phenoxypropan-2-ol
CID 2421328
(2R)-1-[[(2R)-1-[4-[(2R)-2-aminopropyl]phenyl]propan-2-yl]amino]-3-phenoxypropan-2-ol
CID 70462176
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
(2R)-1-[[3-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]-2,2-dimethylpropyl]amino]-3-phenoxypropan-2-ol
CID 40580003
1-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpropan-2-ol
CID 63239730
1-[2-(2-methylpropoxy)ethylamino]-3-phenoxypropan-2-ol
CID 115585680
5-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpentan-1-ol
CID 106160109
1-(iodoamino)-3-phenoxypropan-2-ol
CID 89357647
1-[(2-methylcyclopropyl)methylamino]-3-phenoxypropan-2-ol
CID 113463781
3-[(2-hydroxy-3-phenoxypropyl)amino]-2,2-dimethylpropan-1-ol
CID 115359754

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropylamino)-3-phenoxypropan-2-ol?
The IUPAC name of 1-(2-aminopropylamino)-3-phenoxypropan-2-ol (CID 54410968) is 1-(2-aminopropylamino)-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-(2-aminopropylamino)-3-phenoxypropan-2-ol?
The canonical SMILES for 1-(2-aminopropylamino)-3-phenoxypropan-2-ol is CC(N)CNCC(O)COc1ccccc1.
What is the InChIKey of 1-(2-aminopropylamino)-3-phenoxypropan-2-ol?
The InChIKey is VUCRWUDBPTWIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10(13)7-14-8-11(15)9-16-12-5-3-2-4-6-12/h2-6,10-11,14-15H,7-9,13H2,1H3.
What are the key properties of 1-(2-aminopropylamino)-3-phenoxypropan-2-ol?
1-(2-aminopropylamino)-3-phenoxypropan-2-ol has a molecular weight of 224.30 g/mol, XLogP of 0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropylamino)-3-phenoxypropan-2-ol is sourced from PubChem (CID 54410968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).