1-[2-(aminomethyl)phenoxy]-3-[2-(dimethylamino)ethyl-methylamino]propan-2-ol

C15H27N3O2 — CID 63694109

IUPAC1-[2-(aminomethyl)phenoxy]-3-[2-(dimethylamino)ethyl-methylamino]propan-2-ol
SMILESCN(C)CCN(C)CC(O)COc1ccccc1CN
InChIInChI=1S/C15H27N3O2/c1-17(2)8-9-18(3)11-14(19)12-20-15-7-5-4-6-13(15)10-16/h4-7,14,19H,8-12,16H2,1-3H3
InChIKeyYEYMXAHWSKPHQJ-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.38
Rot. Bonds9

About 1-[2-(aminomethyl)phenoxy]-3-[2-(dimethylamino)ethyl-methylamino]propan-2-ol

1-[2-(aminomethyl)phenoxy]-3-[2-(dimethylamino)ethyl-methylamino]propan-2-ol (PubChem CID 63694109) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenoxy]-3-[2-(dimethylamino)ethyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenoxy]-3-[2-(dimethylamino)ethyl-methylamino]propan-2-ol
PubChem CID63694109
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-[2-(aminomethyl)phenoxy]-3-[2-(dimethylamino)ethyl-methylamino]propan-2-ol
SMILESCN(C)CCN(C)CC(O)COc1ccccc1CN
InChIInChI=1S/C15H27N3O2/c1-17(2)8-9-18(3)11-14(19)12-20-15-7-5-4-6-13(15)10-16/h4-7,14,19H,8-12,16H2,1-3H3
InChIKeyYEYMXAHWSKPHQJ-UHFFFAOYSA-N
XLogP0.38
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-[2-(aminomethyl)phenoxy]-2-hydroxypropyl]-methylamino]-N-methylpropanamide
CID 106914835
1-[2-[2-(aminomethyl)phenoxy]ethyl-methylamino]-3-methoxypropan-2-ol
CID 54993616
1-[2-(aminomethyl)phenoxy]-3-[ethyl(propan-2-yl)amino]propan-2-ol
CID 43265458
1-[2-(aminomethyl)phenoxy]-3-[cyclopropyl(ethyl)amino]propan-2-ol
CID 43263892
1-[2-(aminomethyl)phenoxy]propan-2-ol;hydrochloride
CID 54594731
1-[2-(aminomethyl)phenoxy]-3-(2-fluorophenoxy)propan-2-ol
CID 43531496
N'-[2-[2-(aminomethyl)phenoxy]ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695677
(2R)-1-[2-hydroxyethyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 95232149
N-[2-[2-(aminomethyl)phenoxy]ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 43588461
2-[2-hydroxy-3-[methyl(pentyl)amino]propoxy]benzenecarbothioamide
CID 43294901
(2S)-1-(2-chlorophenoxy)-3-(dimethylamino)propan-2-ol
CID 40540867
2-[2-(dimethylamino)ethyl-methylamino]-1-(2-ethoxyphenyl)ethanol
CID 55228321

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenoxy]-3-[2-(dimethylamino)ethyl-methylamino]propan-2-ol?
The IUPAC name of 1-[2-(aminomethyl)phenoxy]-3-[2-(dimethylamino)ethyl-methylamino]propan-2-ol (CID 63694109) is 1-[2-(aminomethyl)phenoxy]-3-[2-(dimethylamino)ethyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-[2-(aminomethyl)phenoxy]-3-[2-(dimethylamino)ethyl-methylamino]propan-2-ol?
The canonical SMILES for 1-[2-(aminomethyl)phenoxy]-3-[2-(dimethylamino)ethyl-methylamino]propan-2-ol is CN(C)CCN(C)CC(O)COc1ccccc1CN.
What is the InChIKey of 1-[2-(aminomethyl)phenoxy]-3-[2-(dimethylamino)ethyl-methylamino]propan-2-ol?
The InChIKey is YEYMXAHWSKPHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-17(2)8-9-18(3)11-14(19)12-20-15-7-5-4-6-13(15)10-16/h4-7,14,19H,8-12,16H2,1-3H3.
What are the key properties of 1-[2-(aminomethyl)phenoxy]-3-[2-(dimethylamino)ethyl-methylamino]propan-2-ol?
1-[2-(aminomethyl)phenoxy]-3-[2-(dimethylamino)ethyl-methylamino]propan-2-ol has a molecular weight of 281.40 g/mol, XLogP of 0.38, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenoxy]-3-[2-(dimethylamino)ethyl-methylamino]propan-2-ol is sourced from PubChem (CID 63694109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).