4-(ethylamino)-2,2-diphenylbutanal

C18H21NO — CID 167198671

IUPAC4-(ethylamino)-2,2-diphenylbutanal
SMILESCCNCCC(C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-2-19-14-13-18(15-20,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,19H,2,13-14H2,1H3
InChIKeyNJRPJMPFBUXAMH-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.17
Rot. Bonds7

About 4-(ethylamino)-2,2-diphenylbutanal

4-(ethylamino)-2,2-diphenylbutanal (PubChem CID 167198671) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-(ethylamino)-2,2-diphenylbutanal.

Molecular Properties

Compound Name4-(ethylamino)-2,2-diphenylbutanal
PubChem CID167198671
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name4-(ethylamino)-2,2-diphenylbutanal
SMILESCCNCCC(C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-2-19-14-13-18(15-20,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,19H,2,13-14H2,1H3
InChIKeyNJRPJMPFBUXAMH-UHFFFAOYSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

5-(dimethylamino)-2,2-diphenylpentanal
CID 88611833
N-(3,3,3-triphenylpropyl)hexan-1-amine
CID 69396005
N-ethyl-2-[4-(2-phenylpropan-2-yl)phenoxy]ethanamine
CID 39291581
(2R)-2-fluoro-2-phenylbutanal
CID 130623517
N-ethyl-3-(4-iodophenyl)-3-methylbutan-1-amine
CID 79830111
2-methylsulfanyl-2-phenylbutanal
CID 121220248
N-ethyl-3-(4-fluorophenyl)-3-methylbutan-1-amine
CID 79830560
3,3-difluoro-3-phenyl-N-propylpropan-1-amine
CID 116790434
3-(4-bromophenyl)-N-ethyl-3-methylbutan-1-amine
CID 79829851
2-methyl-2-phenylbutanal;hydrochloride
CID 141064880
2,2-diphenylacetaldehyde;5-oxo-4,4-diphenylpentanenitrile
CID 158602010
2-ethyl-2-methyl-3,3-diphenylbutanal
CID 175440032

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-2,2-diphenylbutanal?
The IUPAC name of 4-(ethylamino)-2,2-diphenylbutanal (CID 167198671) is 4-(ethylamino)-2,2-diphenylbutanal.
What is the SMILES notation for 4-(ethylamino)-2,2-diphenylbutanal?
The canonical SMILES for 4-(ethylamino)-2,2-diphenylbutanal is CCNCCC(C=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(ethylamino)-2,2-diphenylbutanal?
The InChIKey is NJRPJMPFBUXAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-19-14-13-18(15-20,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,19H,2,13-14H2,1H3.
What are the key properties of 4-(ethylamino)-2,2-diphenylbutanal?
4-(ethylamino)-2,2-diphenylbutanal has a molecular weight of 267.37 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-2,2-diphenylbutanal is sourced from PubChem (CID 167198671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).