4-[(2S)-3-(2-aminoethylamino)-2-hydroxypropoxy]phenol

C11H18N2O3 — CID 118334706

IUPAC4-[(2S)-3-(2-aminoethylamino)-2-hydroxypropoxy]phenol
SMILESNCCNC[C@H](O)COc1ccc(O)cc1
InChIInChI=1S/C11H18N2O3/c12-5-6-13-7-10(15)8-16-11-3-1-9(14)2-4-11/h1-4,10,13-15H,5-8,12H2/t10-/m0/s1
InChIKeyGFCFLYPSPXXXLL-JTQLQIEISA-N
MW226.28 g/mol
LogP-0.32
Rot. Bonds7

About 4-[(2S)-3-(2-aminoethylamino)-2-hydroxypropoxy]phenol

4-[(2S)-3-(2-aminoethylamino)-2-hydroxypropoxy]phenol (PubChem CID 118334706) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-[(2S)-3-(2-aminoethylamino)-2-hydroxypropoxy]phenol.

Molecular Properties

Compound Name4-[(2S)-3-(2-aminoethylamino)-2-hydroxypropoxy]phenol
PubChem CID118334706
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name4-[(2S)-3-(2-aminoethylamino)-2-hydroxypropoxy]phenol
SMILESNCCNC[C@H](O)COc1ccc(O)cc1
InChIInChI=1S/C11H18N2O3/c12-5-6-13-7-10(15)8-16-11-3-1-9(14)2-4-11/h1-4,10,13-15H,5-8,12H2/t10-/m0/s1
InChIKeyGFCFLYPSPXXXLL-JTQLQIEISA-N
XLogP-0.32
TPSA87.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminoethylamino)-3-[4-[[4-[3-(2-aminoethylamino)-2-hydroxypropoxy]phenyl]methyl]phenoxy]propan-2-ol
CID 126581077
4-[2-hydroxy-3-(2-hydroxyethylamino)propoxy]phenol
CID 11481559
1-(2-aminoethylamino)-3-[4-(2-propoxyethoxy)phenoxy]propan-2-ol
CID 23349125
4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol
CID 12541329
3-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl 2-phenoxyacetate
CID 67677147
1-(3-aminopropylamino)-3-(3,4-dichlorophenoxy)propan-2-ol
CID 62275385
1-[3-[2-(dimethylsulfamoylamino)ethylamino]-2-hydroxypropoxy]-4-hydroxybenzene
CID 12681869
4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
CID 6328341
4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol;oxalic acid
CID 12541330
(2S)-1-(2-aminoethylamino)-3-[4-[2-[2-(cyclopropylmethoxy)ethoxy]ethyl]phenoxy]propan-2-ol
CID 54292131
4-[2-hydroxy-3-[2-(phenylsulfamoylamino)ethylamino]propoxy]phenol
CID 12681876
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-phenylethylamino)propoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol
CID 41066855

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-3-(2-aminoethylamino)-2-hydroxypropoxy]phenol?
The IUPAC name of 4-[(2S)-3-(2-aminoethylamino)-2-hydroxypropoxy]phenol (CID 118334706) is 4-[(2S)-3-(2-aminoethylamino)-2-hydroxypropoxy]phenol.
What is the SMILES notation for 4-[(2S)-3-(2-aminoethylamino)-2-hydroxypropoxy]phenol?
The canonical SMILES for 4-[(2S)-3-(2-aminoethylamino)-2-hydroxypropoxy]phenol is NCCNC[C@H](O)COc1ccc(O)cc1.
What is the InChIKey of 4-[(2S)-3-(2-aminoethylamino)-2-hydroxypropoxy]phenol?
The InChIKey is GFCFLYPSPXXXLL-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18N2O3/c12-5-6-13-7-10(15)8-16-11-3-1-9(14)2-4-11/h1-4,10,13-15H,5-8,12H2/t10-/m0/s1.
What are the key properties of 4-[(2S)-3-(2-aminoethylamino)-2-hydroxypropoxy]phenol?
4-[(2S)-3-(2-aminoethylamino)-2-hydroxypropoxy]phenol has a molecular weight of 226.28 g/mol, XLogP of -0.32, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-3-(2-aminoethylamino)-2-hydroxypropoxy]phenol is sourced from PubChem (CID 118334706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).