2-[2-(aminomethyl)phenyl]-1-(2-ethoxyphenyl)ethanone

C17H19NO2 — CID 116595884

IUPAC2-[2-(aminomethyl)phenyl]-1-(2-ethoxyphenyl)ethanone
SMILESCCOc1ccccc1C(=O)Cc1ccccc1CN
InChIInChI=1S/C17H19NO2/c1-2-20-17-10-6-5-9-15(17)16(19)11-13-7-3-4-8-14(13)12-18/h3-10H,2,11-12,18H2,1H3
InChIKeyDAVQZAGKVLDWJG-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.97
Rot. Bonds6

About 2-[2-(aminomethyl)phenyl]-1-(2-ethoxyphenyl)ethanone

2-[2-(aminomethyl)phenyl]-1-(2-ethoxyphenyl)ethanone (PubChem CID 116595884) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-1-(2-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-1-(2-ethoxyphenyl)ethanone
PubChem CID116595884
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-[2-(aminomethyl)phenyl]-1-(2-ethoxyphenyl)ethanone
SMILESCCOc1ccccc1C(=O)Cc1ccccc1CN
InChIInChI=1S/C17H19NO2/c1-2-20-17-10-6-5-9-15(17)16(19)11-13-7-3-4-8-14(13)12-18/h3-10H,2,11-12,18H2,1H3
InChIKeyDAVQZAGKVLDWJG-UHFFFAOYSA-N
XLogP2.97
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
3-(2-ethoxyphenyl)-3-oxopropanamide
CID 76851157
2-(4-bromophenyl)-1-(2-ethoxyphenyl)ethanone
CID 61056257
3-(2-ethoxyphenyl)-3-oxopropanoic acid
CID 170886850
1-(2-ethoxyphenyl)-2-methylpropan-1-one
CID 62800406
1-(2-ethoxyphenyl)pentane-1,3-dione
CID 28896176
2-(2-amino-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone
CID 115533428
2-(3-chloro-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone
CID 115533419
1-(2-ethoxyphenyl)-2-methylsulfonylethanone
CID 62784939
2-ethoxybenzenecarboperoxoic acid
CID 22314606
2-ethoxybenzoic acid;zinc
CID 172723273
2-ethoxybenzoyl bromide
CID 19426336

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-1-(2-ethoxyphenyl)ethanone?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-1-(2-ethoxyphenyl)ethanone (CID 116595884) is 2-[2-(aminomethyl)phenyl]-1-(2-ethoxyphenyl)ethanone.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-1-(2-ethoxyphenyl)ethanone?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-1-(2-ethoxyphenyl)ethanone is CCOc1ccccc1C(=O)Cc1ccccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-1-(2-ethoxyphenyl)ethanone?
The InChIKey is DAVQZAGKVLDWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-20-17-10-6-5-9-15(17)16(19)11-13-7-3-4-8-14(13)12-18/h3-10H,2,11-12,18H2,1H3.
What are the key properties of 2-[2-(aminomethyl)phenyl]-1-(2-ethoxyphenyl)ethanone?
2-[2-(aminomethyl)phenyl]-1-(2-ethoxyphenyl)ethanone has a molecular weight of 269.34 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-1-(2-ethoxyphenyl)ethanone is sourced from PubChem (CID 116595884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).