2-[2-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide

C16H27N3O2 — CID 103187433

IUPAC2-[2-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide
SMILESCCN(C(=O)COc1ccccc1CN)C(C)CN(C)C
InChIInChI=1S/C16H27N3O2/c1-5-19(13(2)11-18(3)4)16(20)12-21-15-9-7-6-8-14(15)10-17/h6-9,13H,5,10-12,17H2,1-4H3
InChIKeyZYEOSBOTSGLKJF-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.32
Rot. Bonds8

About 2-[2-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide

2-[2-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide (PubChem CID 103187433) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide
PubChem CID103187433
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[2-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide
SMILESCCN(C(=O)COc1ccccc1CN)C(C)CN(C)C
InChIInChI=1S/C16H27N3O2/c1-5-19(13(2)11-18(3)4)16(20)12-21-15-9-7-6-8-14(15)10-17/h6-9,13H,5,10-12,17H2,1-4H3
InChIKeyZYEOSBOTSGLKJF-UHFFFAOYSA-N
XLogP1.32
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)phenoxy]-N,N-diethylacetamide
CID 16771866
2-[2-(aminomethyl)phenoxy]-N-(2-ethoxyethyl)-N-ethylacetamide
CID 63697693
2-[2-(aminomethyl)phenoxy]-N-(3-methylpentan-2-yl)acetamide
CID 61463337
2-[2-(aminomethyl)phenoxy]-N-(3-hydroxyphenyl)-N-methylacetamide
CID 107733334
2-(2-ethylphenoxy)-N-methylacetohydrazide
CID 116820495
2-(4-cyanophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide
CID 103188840
N-butan-2-yl-2-(2-ethylphenoxy)-N-methylacetamide
CID 78853919
2-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N-ethylpropanamide
CID 43575741
2-[2-(aminomethyl)phenoxy]acetic acid
CID 15103326
2-[2-(aminomethyl)phenoxy]-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103504976
2-[2-(aminomethyl)phenoxy]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 43563276
N,N-diethyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 43277363

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide?
The IUPAC name of 2-[2-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide (CID 103187433) is 2-[2-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide is CCN(C(=O)COc1ccccc1CN)C(C)CN(C)C.
What is the InChIKey of 2-[2-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide?
The InChIKey is ZYEOSBOTSGLKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-19(13(2)11-18(3)4)16(20)12-21-15-9-7-6-8-14(15)10-17/h6-9,13H,5,10-12,17H2,1-4H3.
What are the key properties of 2-[2-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide?
2-[2-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide has a molecular weight of 293.41 g/mol, XLogP of 1.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide is sourced from PubChem (CID 103187433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).