4-phenylbenzaldehyde;2-phenylethanamine

C21H21NO — CID 23291840

IUPAC4-phenylbenzaldehyde;2-phenylethanamine
SMILESNCCc1ccccc1.O=Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H10O.C8H11N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;9-7-6-8-4-2-1-3-5-8/h1-10H;1-5H,6-7,9H2
InChIKeyZKMRORPAIKWOPZ-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.35
Rot. Bonds4

About 4-phenylbenzaldehyde;2-phenylethanamine

4-phenylbenzaldehyde;2-phenylethanamine (PubChem CID 23291840) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-phenylbenzaldehyde;2-phenylethanamine.

Molecular Properties

Compound Name4-phenylbenzaldehyde;2-phenylethanamine
PubChem CID23291840
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name4-phenylbenzaldehyde;2-phenylethanamine
SMILESNCCc1ccccc1.O=Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H10O.C8H11N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;9-7-6-8-4-2-1-3-5-8/h1-10H;1-5H,6-7,9H2
InChIKeyZKMRORPAIKWOPZ-UHFFFAOYSA-N
XLogP4.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzoic acid;(2S)-2,6-diaminohexanoic acid;4-phenylbenzaldehyde;2-phenylethanamine
CID 160794826
formic acid;2-phenylethanamine
CID 174535099
2-(4-phenylphenyl)ethanamine;(4-phenylphenyl)methanamine
CID 160539387
4-(3-carboxypropanoyloxy)-4-oxobutanoic acid;(2S)-2,5-diaminopentanoic acid;4-phenylbenzaldehyde;2-phenylethanamine
CID 173277158
azane;2-phenylethanamine
CID 23506485
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol;4-phenylbenzaldehyde
CID 175290890
2-[4-(2-phenylethyl)phenyl]ethanamine
CID 15036636
benzaldehyde;2-(3-methoxyphenyl)ethanamine
CID 89401887
1,4-diphenylbenzene;2-fluorobenzaldehyde;2-phenylethylbenzene
CID 175542681
2-(3-chlorophenyl)ethanamine;4-phenoxybenzaldehyde
CID 23291749
4-[2-(4-phenylphenyl)ethynyl]benzaldehyde
CID 11358016
4-(4-aminophenyl)benzaldehyde
CID 1393544

Frequently Asked Questions

What is the IUPAC name of 4-phenylbenzaldehyde;2-phenylethanamine?
The IUPAC name of 4-phenylbenzaldehyde;2-phenylethanamine (CID 23291840) is 4-phenylbenzaldehyde;2-phenylethanamine.
What is the SMILES notation for 4-phenylbenzaldehyde;2-phenylethanamine?
The canonical SMILES for 4-phenylbenzaldehyde;2-phenylethanamine is NCCc1ccccc1.O=Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenylbenzaldehyde;2-phenylethanamine?
The InChIKey is ZKMRORPAIKWOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C8H11N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;9-7-6-8-4-2-1-3-5-8/h1-10H;1-5H,6-7,9H2.
What are the key properties of 4-phenylbenzaldehyde;2-phenylethanamine?
4-phenylbenzaldehyde;2-phenylethanamine has a molecular weight of 303.41 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylbenzaldehyde;2-phenylethanamine is sourced from PubChem (CID 23291840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).