2-[2-[2-(aminomethyl)phenoxy]ethyl-methylamino]-N,N-dimethylacetamide

C14H23N3O2 — CID 43374698

IUPAC2-[2-[2-(aminomethyl)phenoxy]ethyl-methylamino]-N,N-dimethylacetamide
SMILESCN(CCOc1ccccc1CN)CC(=O)N(C)C
InChIInChI=1S/C14H23N3O2/c1-16(2)14(18)11-17(3)8-9-19-13-7-5-4-6-12(13)10-15/h4-7H,8-11,15H2,1-3H3
InChIKeyBRDBSQJNFNPSHB-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.54
Rot. Bonds7

About 2-[2-[2-(aminomethyl)phenoxy]ethyl-methylamino]-N,N-dimethylacetamide

2-[2-[2-(aminomethyl)phenoxy]ethyl-methylamino]-N,N-dimethylacetamide (PubChem CID 43374698) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[2-[2-(aminomethyl)phenoxy]ethyl-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[2-(aminomethyl)phenoxy]ethyl-methylamino]-N,N-dimethylacetamide
PubChem CID43374698
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[2-[2-(aminomethyl)phenoxy]ethyl-methylamino]-N,N-dimethylacetamide
SMILESCN(CCOc1ccccc1CN)CC(=O)N(C)C
InChIInChI=1S/C14H23N3O2/c1-16(2)14(18)11-17(3)8-9-19-13-7-5-4-6-12(13)10-15/h4-7H,8-11,15H2,1-3H3
InChIKeyBRDBSQJNFNPSHB-UHFFFAOYSA-N
XLogP0.54
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-[2-(aminomethyl)phenoxy]ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695677
2-[2-(aminomethyl)phenoxy]-N-[(2-fluorophenyl)methyl]-N-methylethanamine
CID 43575739
2-[2-(aminomethyl)phenoxy]-N-[(2-bromophenyl)methyl]-N-methylethanamine
CID 61416325
1-[2-[2-(aminomethyl)phenoxy]ethyl-methylamino]-3-methoxypropan-2-ol
CID 54993616
2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine
CID 16787209
2-[2-(4-fluorophenoxy)ethyl-methylamino]-N,N-dimethylacetamide
CID 51073531
5-[3-[2-(aminomethyl)phenoxy]propyl-methylamino]pentan-1-ol
CID 107198493
N-[2-[2-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-ethylethanamine
CID 63696644
2-[2-(aminomethyl)phenoxy]-N,N-diethylacetamide
CID 16771866
N-[2-[2-(aminomethyl)phenoxy]ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 43588461
2-[2-(aminomethyl)phenoxy]-N-(2-ethoxyethyl)-N-ethylacetamide
CID 63697693
2-[2-(aminomethyl)phenoxy]ethanol;hydrochloride
CID 67183570

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(aminomethyl)phenoxy]ethyl-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[2-(aminomethyl)phenoxy]ethyl-methylamino]-N,N-dimethylacetamide (CID 43374698) is 2-[2-[2-(aminomethyl)phenoxy]ethyl-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[2-(aminomethyl)phenoxy]ethyl-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[2-(aminomethyl)phenoxy]ethyl-methylamino]-N,N-dimethylacetamide is CN(CCOc1ccccc1CN)CC(=O)N(C)C.
What is the InChIKey of 2-[2-[2-(aminomethyl)phenoxy]ethyl-methylamino]-N,N-dimethylacetamide?
The InChIKey is BRDBSQJNFNPSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-16(2)14(18)11-17(3)8-9-19-13-7-5-4-6-12(13)10-15/h4-7H,8-11,15H2,1-3H3.
What are the key properties of 2-[2-[2-(aminomethyl)phenoxy]ethyl-methylamino]-N,N-dimethylacetamide?
2-[2-[2-(aminomethyl)phenoxy]ethyl-methylamino]-N,N-dimethylacetamide has a molecular weight of 265.36 g/mol, XLogP of 0.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(aminomethyl)phenoxy]ethyl-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 43374698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).