2-amino-4-[3-(dimethylamino)phenoxy]butan-1-ol

C12H20N2O2 — CID 64809356

IUPAC2-amino-4-[3-(dimethylamino)phenoxy]butan-1-ol
SMILESCN(C)c1cccc(OCCC(N)CO)c1
InChIInChI=1S/C12H20N2O2/c1-14(2)11-4-3-5-12(8-11)16-7-6-10(13)9-15/h3-5,8,10,15H,6-7,9,13H2,1-2H3
InChIKeyYTNNSZXDYVUGNJ-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.84
Rot. Bonds6

About 2-amino-4-[3-(dimethylamino)phenoxy]butan-1-ol

2-amino-4-[3-(dimethylamino)phenoxy]butan-1-ol (PubChem CID 64809356) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-amino-4-[3-(dimethylamino)phenoxy]butan-1-ol.

Molecular Properties

Compound Name2-amino-4-[3-(dimethylamino)phenoxy]butan-1-ol
PubChem CID64809356
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-amino-4-[3-(dimethylamino)phenoxy]butan-1-ol
SMILESCN(C)c1cccc(OCCC(N)CO)c1
InChIInChI=1S/C12H20N2O2/c1-14(2)11-4-3-5-12(8-11)16-7-6-10(13)9-15/h3-5,8,10,15H,6-7,9,13H2,1-2H3
InChIKeyYTNNSZXDYVUGNJ-UHFFFAOYSA-N
XLogP0.84
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(dimethylamino)phenoxy]-2-(propylamino)butan-1-ol
CID 64809761
2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butan-1-ol
CID 64810584
(2S)-2-amino-4-(3-fluorophenoxy)butan-1-ol;hydrochloride
CID 70052639
5-[3-(dimethylamino)phenoxy]-3-hydroxypentanenitrile
CID 112508200
ethyl 4-[3-(dimethylamino)phenoxy]-2-(methylamino)butanoate
CID 63040178
3-amino-4-[3-(dimethylamino)phenoxy]butanoic acid
CID 112511325
3-[2-(4-iodophenoxy)ethoxy]-N,N-dimethylaniline
CID 141496983
3-[2-(diethylamino)ethoxy]-N,N-dimethylaniline
CID 58006190
3-[3-[2-(2-aminoethoxy)ethoxy]propoxy]-N,N-dimethylaniline
CID 82353541
3-(4-amino-3,3-dimethylbutoxy)-N,N-dimethylaniline
CID 65248872
4-[2-[3-(dimethylamino)phenoxy]ethoxy]benzoic acid
CID 20985248
4-(3-ethoxyphenoxy)-1-N,1-N-dimethylbutane-1,2-diamine
CID 116820951

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-(dimethylamino)phenoxy]butan-1-ol?
The IUPAC name of 2-amino-4-[3-(dimethylamino)phenoxy]butan-1-ol (CID 64809356) is 2-amino-4-[3-(dimethylamino)phenoxy]butan-1-ol.
What is the SMILES notation for 2-amino-4-[3-(dimethylamino)phenoxy]butan-1-ol?
The canonical SMILES for 2-amino-4-[3-(dimethylamino)phenoxy]butan-1-ol is CN(C)c1cccc(OCCC(N)CO)c1.
What is the InChIKey of 2-amino-4-[3-(dimethylamino)phenoxy]butan-1-ol?
The InChIKey is YTNNSZXDYVUGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-14(2)11-4-3-5-12(8-11)16-7-6-10(13)9-15/h3-5,8,10,15H,6-7,9,13H2,1-2H3.
What are the key properties of 2-amino-4-[3-(dimethylamino)phenoxy]butan-1-ol?
2-amino-4-[3-(dimethylamino)phenoxy]butan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-(dimethylamino)phenoxy]butan-1-ol is sourced from PubChem (CID 64809356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).