2-[2-(4-phenoxyphenyl)ethylamino]acetaldehyde

C16H17NO2 — CID 115223204

IUPAC2-[2-(4-phenoxyphenyl)ethylamino]acetaldehyde
SMILESO=CCNCCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c18-13-12-17-11-10-14-6-8-16(9-7-14)19-15-4-2-1-3-5-15/h1-9,13,17H,10-12H2
InChIKeyGNEOYVYWNCXPJP-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.81
Rot. Bonds7

About 2-[2-(4-phenoxyphenyl)ethylamino]acetaldehyde

2-[2-(4-phenoxyphenyl)ethylamino]acetaldehyde (PubChem CID 115223204) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[2-(4-phenoxyphenyl)ethylamino]acetaldehyde.

Molecular Properties

Compound Name2-[2-(4-phenoxyphenyl)ethylamino]acetaldehyde
PubChem CID115223204
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-[2-(4-phenoxyphenyl)ethylamino]acetaldehyde
SMILESO=CCNCCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c18-13-12-17-11-10-14-6-8-16(9-7-14)19-15-4-2-1-3-5-15/h1-9,13,17H,10-12H2
InChIKeyGNEOYVYWNCXPJP-UHFFFAOYSA-N
XLogP2.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene
CID 130400104
3-[2-(4-methoxyphenyl)ethylamino]-N-(4-phenoxyphenyl)propanamide
CID 109025969
2-methyl-N-[2-(4-phenoxyphenyl)ethyl]propanamide
CID 22953723
2-methyl-N-[2-(4-phenoxyphenyl)ethyl]butanamide
CID 126657315
N-[2-(4-chlorophenyl)ethyl]-4-phenoxyaniline
CID 54796770
N-(2-phenylethyl)prop-2-en-1-amine;hydrate
CID 174367683
2-oxo-N-[(4-phenoxyphenyl)methyl]acetamide
CID 115166211
N-[2-(4-phenoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 142259175
1-[(Z)-pent-3-enyl]-4-phenoxybenzene
CID 83939005
N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]pyridine-4-carboxamide
CID 11597008
1-(3,3-dimethylbutyl)-4-phenoxybenzene
CID 59674279
1-phenoxy-4-(3,3,3-trifluoropropyl)benzene
CID 13188955

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-phenoxyphenyl)ethylamino]acetaldehyde?
The IUPAC name of 2-[2-(4-phenoxyphenyl)ethylamino]acetaldehyde (CID 115223204) is 2-[2-(4-phenoxyphenyl)ethylamino]acetaldehyde.
What is the SMILES notation for 2-[2-(4-phenoxyphenyl)ethylamino]acetaldehyde?
The canonical SMILES for 2-[2-(4-phenoxyphenyl)ethylamino]acetaldehyde is O=CCNCCc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[2-(4-phenoxyphenyl)ethylamino]acetaldehyde?
The InChIKey is GNEOYVYWNCXPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c18-13-12-17-11-10-14-6-8-16(9-7-14)19-15-4-2-1-3-5-15/h1-9,13,17H,10-12H2.
What are the key properties of 2-[2-(4-phenoxyphenyl)ethylamino]acetaldehyde?
2-[2-(4-phenoxyphenyl)ethylamino]acetaldehyde has a molecular weight of 255.32 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-phenoxyphenyl)ethylamino]acetaldehyde is sourced from PubChem (CID 115223204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).