2-[1-[4-(4-hydroxyphenyl)phenyl]ethylamino]acetaldehyde

C16H17NO2 — CID 143479390

IUPAC2-[1-[4-(4-hydroxyphenyl)phenyl]ethylamino]acetaldehyde
SMILESCC(NCC=O)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C16H17NO2/c1-12(17-10-11-18)13-2-4-14(5-3-13)15-6-8-16(19)9-7-15/h2-9,11-12,17,19H,10H2,1H3
InChIKeyACBGBDBSOSBACX-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.91
Rot. Bonds5

About 2-[1-[4-(4-hydroxyphenyl)phenyl]ethylamino]acetaldehyde

2-[1-[4-(4-hydroxyphenyl)phenyl]ethylamino]acetaldehyde (PubChem CID 143479390) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[1-[4-(4-hydroxyphenyl)phenyl]ethylamino]acetaldehyde.

Molecular Properties

Compound Name2-[1-[4-(4-hydroxyphenyl)phenyl]ethylamino]acetaldehyde
PubChem CID143479390
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-[1-[4-(4-hydroxyphenyl)phenyl]ethylamino]acetaldehyde
SMILESCC(NCC=O)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C16H17NO2/c1-12(17-10-11-18)13-2-4-14(5-3-13)15-6-8-16(19)9-7-15/h2-9,11-12,17,19H,10H2,1H3
InChIKeyACBGBDBSOSBACX-UHFFFAOYSA-N
XLogP2.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(prop-2-enylamino)ethyl]phenol
CID 43189554
2-[[(1S)-1-phenylethyl]amino]acetaldehyde
CID 173253392
4-[1-(2-aminoethylamino)ethyl]phenol
CID 60887563
4-[1-(prop-2-ynylamino)ethyl]phenol
CID 43189482
4-[1-[2-(dimethylamino)propylamino]ethyl]phenol
CID 61043440
4-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]phenol
CID 115454338
4-[1-(3-aminopropylamino)ethyl]phenol
CID 60889322
3-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54935284
4-[1-[(2-ethyl-2-hydroxybutyl)amino]ethyl]phenol
CID 65107715
2-[4-(4-hydroxyphenyl)phenyl]-4-oxobutanoic acid
CID 141025701
2-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide
CID 114175052
[(1R)-1-(4-hydroxyphenyl)ethyl]carbamic acid
CID 69395015

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(4-hydroxyphenyl)phenyl]ethylamino]acetaldehyde?
The IUPAC name of 2-[1-[4-(4-hydroxyphenyl)phenyl]ethylamino]acetaldehyde (CID 143479390) is 2-[1-[4-(4-hydroxyphenyl)phenyl]ethylamino]acetaldehyde.
What is the SMILES notation for 2-[1-[4-(4-hydroxyphenyl)phenyl]ethylamino]acetaldehyde?
The canonical SMILES for 2-[1-[4-(4-hydroxyphenyl)phenyl]ethylamino]acetaldehyde is CC(NCC=O)c1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of 2-[1-[4-(4-hydroxyphenyl)phenyl]ethylamino]acetaldehyde?
The InChIKey is ACBGBDBSOSBACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12(17-10-11-18)13-2-4-14(5-3-13)15-6-8-16(19)9-7-15/h2-9,11-12,17,19H,10H2,1H3.
What are the key properties of 2-[1-[4-(4-hydroxyphenyl)phenyl]ethylamino]acetaldehyde?
2-[1-[4-(4-hydroxyphenyl)phenyl]ethylamino]acetaldehyde has a molecular weight of 255.32 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(4-hydroxyphenyl)phenyl]ethylamino]acetaldehyde is sourced from PubChem (CID 143479390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).