3-[[3-[4-(aminomethyl)phenoxy]-2-hydroxypropyl]-methylamino]-N-methylpropanamide

C15H25N3O3 — CID 106914872

IUPAC3-[[3-[4-(aminomethyl)phenoxy]-2-hydroxypropyl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)CC(O)COc1ccc(CN)cc1
InChIInChI=1S/C15H25N3O3/c1-17-15(20)7-8-18(2)10-13(19)11-21-14-5-3-12(9-16)4-6-14/h3-6,13,19H,7-11,16H2,1-2H3,(H,17,20)
InChIKeyBVDNHMAGJYPNBV-UHFFFAOYSA-N
MW295.38 g/mol
LogP-0.05
Rot. Bonds9

About 3-[[3-[4-(aminomethyl)phenoxy]-2-hydroxypropyl]-methylamino]-N-methylpropanamide

3-[[3-[4-(aminomethyl)phenoxy]-2-hydroxypropyl]-methylamino]-N-methylpropanamide (PubChem CID 106914872) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-[[3-[4-(aminomethyl)phenoxy]-2-hydroxypropyl]-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[3-[4-(aminomethyl)phenoxy]-2-hydroxypropyl]-methylamino]-N-methylpropanamide
PubChem CID106914872
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name3-[[3-[4-(aminomethyl)phenoxy]-2-hydroxypropyl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)CC(O)COc1ccc(CN)cc1
InChIInChI=1S/C15H25N3O3/c1-17-15(20)7-8-18(2)10-13(19)11-21-14-5-3-12(9-16)4-6-14/h3-6,13,19H,7-11,16H2,1-2H3,(H,17,20)
InChIKeyBVDNHMAGJYPNBV-UHFFFAOYSA-N
XLogP-0.05
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(aminomethyl)phenoxy]-3-[methyl(pentyl)amino]propan-2-ol
CID 43294523
3-[[3-[2-(aminomethyl)phenoxy]-2-hydroxypropyl]-methylamino]-N-methylpropanamide
CID 106914835
2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide
CID 43374648
1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol
CID 3638612
1-[4-(aminomethyl)phenoxy]-3-[butyl(ethyl)amino]propan-2-ol
CID 43253651
1-[4-(aminomethyl)phenoxy]-3-[1-cyclopropylethyl(methyl)amino]propan-2-ol
CID 43568840
3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]-N,2-dimethylpropanamide
CID 111635190
2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-methylacetamide
CID 43366442
3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]-N-methylpropanamide
CID 106914441
1-[4-(aminomethyl)phenoxy]-3-[ethyl(2-methylbutyl)amino]propan-2-ol
CID 79481508
1-[4-(aminomethyl)phenoxy]-3-(2-propoxyethoxy)propan-2-ol
CID 63685060
2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide
CID 32530996

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[4-(aminomethyl)phenoxy]-2-hydroxypropyl]-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[[3-[4-(aminomethyl)phenoxy]-2-hydroxypropyl]-methylamino]-N-methylpropanamide (CID 106914872) is 3-[[3-[4-(aminomethyl)phenoxy]-2-hydroxypropyl]-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[[3-[4-(aminomethyl)phenoxy]-2-hydroxypropyl]-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[[3-[4-(aminomethyl)phenoxy]-2-hydroxypropyl]-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)CC(O)COc1ccc(CN)cc1.
What is the InChIKey of 3-[[3-[4-(aminomethyl)phenoxy]-2-hydroxypropyl]-methylamino]-N-methylpropanamide?
The InChIKey is BVDNHMAGJYPNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-17-15(20)7-8-18(2)10-13(19)11-21-14-5-3-12(9-16)4-6-14/h3-6,13,19H,7-11,16H2,1-2H3,(H,17,20).
What are the key properties of 3-[[3-[4-(aminomethyl)phenoxy]-2-hydroxypropyl]-methylamino]-N-methylpropanamide?
3-[[3-[4-(aminomethyl)phenoxy]-2-hydroxypropyl]-methylamino]-N-methylpropanamide has a molecular weight of 295.38 g/mol, XLogP of -0.05, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[4-(aminomethyl)phenoxy]-2-hydroxypropyl]-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106914872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).