(4-aminophenyl)-[4-(1-phenylethyl)phenyl]methanone

C21H19NO — CID 19939681

IUPAC(4-aminophenyl)-[4-(1-phenylethyl)phenyl]methanone
SMILESCC(c1ccccc1)c1ccc(C(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C21H19NO/c1-15(16-5-3-2-4-6-16)17-7-9-18(10-8-17)21(23)19-11-13-20(22)14-12-19/h2-15H,22H2,1H3
InChIKeyUWJKRRCUKBTWMW-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.65
Rot. Bonds4

About (4-aminophenyl)-[4-(1-phenylethyl)phenyl]methanone

(4-aminophenyl)-[4-(1-phenylethyl)phenyl]methanone (PubChem CID 19939681) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is (4-aminophenyl)-[4-(1-phenylethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-aminophenyl)-[4-(1-phenylethyl)phenyl]methanone
PubChem CID19939681
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name(4-aminophenyl)-[4-(1-phenylethyl)phenyl]methanone
SMILESCC(c1ccccc1)c1ccc(C(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C21H19NO/c1-15(16-5-3-2-4-6-16)17-7-9-18(10-8-17)21(23)19-11-13-20(22)14-12-19/h2-15H,22H2,1H3
InChIKeyUWJKRRCUKBTWMW-UHFFFAOYSA-N
XLogP4.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-aminophenyl)-phenylmethanone
CID 14346
methyl 4-[1-(4-aminophenyl)ethyl]benzoate
CID 175023577
(4-aminophenyl)-phenylmethanol;(4-aminophenyl)-phenylmethanone;(4-nitrophenyl)-phenylmethanone
CID 157315680
N,N-dimethyl-4-[(1R)-1-phenylethyl]benzamide
CID 134961348
phenyl-[4-(1-tellanylethyl)phenyl]methanone
CID 174989936
1-phenylethylbenzene
CID 11918
1-phenylethylbenzene
CID 142851428
aniline;bis(4-sulfanylphenyl)methanone
CID 18508820
1,1-diaminourea;1-phenylethylbenzene
CID 174865335
diphenylmethanone;4-fluoroaniline
CID 174706224
[4-[4-(4-aminobenzoyl)phenyl]phenyl]-(4-aminophenyl)methanone
CID 14344374
(3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone
CID 170780602

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-[4-(1-phenylethyl)phenyl]methanone?
The IUPAC name of (4-aminophenyl)-[4-(1-phenylethyl)phenyl]methanone (CID 19939681) is (4-aminophenyl)-[4-(1-phenylethyl)phenyl]methanone.
What is the SMILES notation for (4-aminophenyl)-[4-(1-phenylethyl)phenyl]methanone?
The canonical SMILES for (4-aminophenyl)-[4-(1-phenylethyl)phenyl]methanone is CC(c1ccccc1)c1ccc(C(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of (4-aminophenyl)-[4-(1-phenylethyl)phenyl]methanone?
The InChIKey is UWJKRRCUKBTWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-15(16-5-3-2-4-6-16)17-7-9-18(10-8-17)21(23)19-11-13-20(22)14-12-19/h2-15H,22H2,1H3.
What are the key properties of (4-aminophenyl)-[4-(1-phenylethyl)phenyl]methanone?
(4-aminophenyl)-[4-(1-phenylethyl)phenyl]methanone has a molecular weight of 301.39 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-[4-(1-phenylethyl)phenyl]methanone is sourced from PubChem (CID 19939681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).