2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-ethylacetamide

C17H20N2O2 — CID 43366447

IUPAC2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(-c2ccc(CN)cc2)cc1
InChIInChI=1S/C17H20N2O2/c1-2-19-17(20)12-21-16-9-7-15(8-10-16)14-5-3-13(11-18)4-6-14/h3-10H,2,11-12,18H2,1H3,(H,19,20)
InChIKeyFQXSGZYQLJCDSB-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.33
Rot. Bonds6

About 2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-ethylacetamide

2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-ethylacetamide (PubChem CID 43366447) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-ethylacetamide
PubChem CID43366447
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(-c2ccc(CN)cc2)cc1
InChIInChI=1S/C17H20N2O2/c1-2-19-17(20)12-21-16-9-7-15(8-10-16)14-5-3-13(11-18)4-6-14/h3-10H,2,11-12,18H2,1H3,(H,19,20)
InChIKeyFQXSGZYQLJCDSB-UHFFFAOYSA-N
XLogP2.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-methylacetamide
CID 43366442
2-[[2-[4-(aminomethyl)phenoxy]acetyl]amino]acetamide
CID 16774708
N-ethyl-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 24701129
2-[4-(cyanomethyl)phenoxy]-N-ethylacetamide
CID 24702557
2-[4-(aminomethyl)phenoxy]-N-[2-(methanesulfonamido)ethyl]acetamide
CID 43545869
methyl 4-[[2-[4-(aminomethyl)phenoxy]acetyl]amino]butanoate
CID 106484765
2-[4-(aminomethyl)phenoxy]-N-(2-propan-2-yloxyethyl)acetamide
CID 104758382
2-[4-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)acetamide
CID 43370712
2-[4-(aminomethyl)phenoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 62525022
N-ethyl-2-[4-[(1R)-1-hydroxyethyl]phenoxy]acetamide
CID 63364320
N-ethyl-2-[4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenoxy]acetamide
CID 111114582
2-[4-(aminomethyl)phenoxy]-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
CID 106033671

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-ethylacetamide?
The IUPAC name of 2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-ethylacetamide (CID 43366447) is 2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-ethylacetamide.
What is the SMILES notation for 2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-ethylacetamide?
The canonical SMILES for 2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-ethylacetamide is CCNC(=O)COc1ccc(-c2ccc(CN)cc2)cc1.
What is the InChIKey of 2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-ethylacetamide?
The InChIKey is FQXSGZYQLJCDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-19-17(20)12-21-16-9-7-15(8-10-16)14-5-3-13(11-18)4-6-14/h3-10H,2,11-12,18H2,1H3,(H,19,20).
What are the key properties of 2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-ethylacetamide?
2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-ethylacetamide has a molecular weight of 284.36 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-ethylacetamide is sourced from PubChem (CID 43366447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).