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

C14H20N2O3 — CID 55154462

IUPAC2-[2-(aminomethyl)phenoxy]-1-(1,4-oxazepan-4-yl)ethanone
SMILESNCc1ccccc1OCC(=O)N1CCCOCC1
InChIInChI=1S/C14H20N2O3/c15-10-12-4-1-2-5-13(12)19-11-14(17)16-6-3-8-18-9-7-16/h1-2,4-5H,3,6-11,15H2
InChIKeyXMHDGTLTVHBDFF-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.77
Rot. Bonds4

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

2-[2-(aminomethyl)phenoxy]-1-(1,4-oxazepan-4-yl)ethanone (PubChem CID 55154462) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenoxy]-1-(1,4-oxazepan-4-yl)ethanone.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenoxy]-1-(1,4-oxazepan-4-yl)ethanone
PubChem CID55154462
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[2-(aminomethyl)phenoxy]-1-(1,4-oxazepan-4-yl)ethanone
SMILESNCc1ccccc1OCC(=O)N1CCCOCC1
InChIInChI=1S/C14H20N2O3/c15-10-12-4-1-2-5-13(12)19-11-14(17)16-6-3-8-18-9-7-16/h1-2,4-5H,3,6-11,15H2
InChIKeyXMHDGTLTVHBDFF-UHFFFAOYSA-N
XLogP0.77
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)phenoxy]-1-(4,4-dimethylazepan-1-yl)ethanone
CID 65283261
1-morpholin-4-yl-2-naphthalen-1-yloxyethanone
CID 954548
2-[2-(2-aminoethyl)phenoxy]-1-piperidin-1-ylethanone
CID 54931191
2-(2-bromophenoxy)-1-morpholin-4-ylethanone
CID 725441
2-(2-chlorophenoxy)-1-morpholin-4-ylethanone
CID 905479
2-[2-(aminomethyl)phenoxy]-1-(1,3-dihydroisoindol-2-yl)ethanone
CID 62204457
2-[2-(aminomethyl)phenoxy]-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103504976
2-[2-(aminomethyl)-3-fluorophenoxy]-1-morpholin-4-ylethanone
CID 43609224
1-morpholin-4-yl-2-[2-(propylaminomethyl)phenoxy]ethanone
CID 43277297
2-[2-(aminomethyl)phenoxy]-1-(4-ethyl-4-methylpiperidin-1-yl)ethanone
CID 63157315
2-[2-(aminomethyl)phenoxy]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 66393220
2-[2-(aminomethyl)phenoxy]-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107390358

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenoxy]-1-(1,4-oxazepan-4-yl)ethanone?
The IUPAC name of 2-[2-(aminomethyl)phenoxy]-1-(1,4-oxazepan-4-yl)ethanone (CID 55154462) is 2-[2-(aminomethyl)phenoxy]-1-(1,4-oxazepan-4-yl)ethanone.
What is the SMILES notation for 2-[2-(aminomethyl)phenoxy]-1-(1,4-oxazepan-4-yl)ethanone?
The canonical SMILES for 2-[2-(aminomethyl)phenoxy]-1-(1,4-oxazepan-4-yl)ethanone is NCc1ccccc1OCC(=O)N1CCCOCC1.
What is the InChIKey of 2-[2-(aminomethyl)phenoxy]-1-(1,4-oxazepan-4-yl)ethanone?
The InChIKey is XMHDGTLTVHBDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-10-12-4-1-2-5-13(12)19-11-14(17)16-6-3-8-18-9-7-16/h1-2,4-5H,3,6-11,15H2.
What are the key properties of 2-[2-(aminomethyl)phenoxy]-1-(1,4-oxazepan-4-yl)ethanone?
2-[2-(aminomethyl)phenoxy]-1-(1,4-oxazepan-4-yl)ethanone has a molecular weight of 264.32 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenoxy]-1-(1,4-oxazepan-4-yl)ethanone is sourced from PubChem (CID 55154462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).