2-[2-(aminomethyl)phenoxy]-1-(4,4-dimethylazepan-1-yl)ethanone

C17H26N2O2 — CID 65283261

IUPAC2-[2-(aminomethyl)phenoxy]-1-(4,4-dimethylazepan-1-yl)ethanone
SMILESCC1(C)CCCN(C(=O)COc2ccccc2CN)CC1
InChIInChI=1S/C17H26N2O2/c1-17(2)8-5-10-19(11-9-17)16(20)13-21-15-7-4-3-6-14(15)12-18/h3-4,6-7H,5,8-13,18H2,1-2H3
InChIKeyRMUPCRITABPRFB-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.56
Rot. Bonds4

About 2-[2-(aminomethyl)phenoxy]-1-(4,4-dimethylazepan-1-yl)ethanone

2-[2-(aminomethyl)phenoxy]-1-(4,4-dimethylazepan-1-yl)ethanone (PubChem CID 65283261) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenoxy]-1-(4,4-dimethylazepan-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenoxy]-1-(4,4-dimethylazepan-1-yl)ethanone
PubChem CID65283261
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[2-(aminomethyl)phenoxy]-1-(4,4-dimethylazepan-1-yl)ethanone
SMILESCC1(C)CCCN(C(=O)COc2ccccc2CN)CC1
InChIInChI=1S/C17H26N2O2/c1-17(2)8-5-10-19(11-9-17)16(20)13-21-15-7-4-3-6-14(15)12-18/h3-4,6-7H,5,8-13,18H2,1-2H3
InChIKeyRMUPCRITABPRFB-UHFFFAOYSA-N
XLogP2.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)phenoxy]-1-(4-ethyl-4-methylpiperidin-1-yl)ethanone
CID 63157315
2-[2-(aminomethyl)phenoxy]-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107390358
2-[2-(aminomethyl)phenoxy]-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103504976
2-[2-(aminomethyl)phenoxy]-1-(1,4-oxazepan-4-yl)ethanone
CID 55154462
2-[2-(aminomethyl)phenyl]-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 81322025
2-[2-(2-aminoethyl)phenoxy]-1-piperidin-1-ylethanone
CID 54931191
2-[2-(aminomethyl)phenoxy]-1-(1,3-dihydroisoindol-2-yl)ethanone
CID 62204457
2-[2-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103530183
2-[2-(aminomethyl)phenoxy]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 30080646
2-[2-(aminomethyl)phenoxy]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 107211770
2-[2-(aminomethyl)phenoxy]-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 107211766
3-(2-aminophenyl)-1-(4,4-dimethylazepan-1-yl)propan-1-one
CID 65282012

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenoxy]-1-(4,4-dimethylazepan-1-yl)ethanone?
The IUPAC name of 2-[2-(aminomethyl)phenoxy]-1-(4,4-dimethylazepan-1-yl)ethanone (CID 65283261) is 2-[2-(aminomethyl)phenoxy]-1-(4,4-dimethylazepan-1-yl)ethanone.
What is the SMILES notation for 2-[2-(aminomethyl)phenoxy]-1-(4,4-dimethylazepan-1-yl)ethanone?
The canonical SMILES for 2-[2-(aminomethyl)phenoxy]-1-(4,4-dimethylazepan-1-yl)ethanone is CC1(C)CCCN(C(=O)COc2ccccc2CN)CC1.
What is the InChIKey of 2-[2-(aminomethyl)phenoxy]-1-(4,4-dimethylazepan-1-yl)ethanone?
The InChIKey is RMUPCRITABPRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2)8-5-10-19(11-9-17)16(20)13-21-15-7-4-3-6-14(15)12-18/h3-4,6-7H,5,8-13,18H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)phenoxy]-1-(4,4-dimethylazepan-1-yl)ethanone?
2-[2-(aminomethyl)phenoxy]-1-(4,4-dimethylazepan-1-yl)ethanone has a molecular weight of 290.41 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenoxy]-1-(4,4-dimethylazepan-1-yl)ethanone is sourced from PubChem (CID 65283261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).