2,2-diethoxy-1-(4-phenylphenyl)ethanamine

C18H23NO2 — CID 79489021

IUPAC2,2-diethoxy-1-(4-phenylphenyl)ethanamine
SMILESCCOC(OCC)C(N)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-3-20-18(21-4-2)17(19)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h5-13,17-18H,3-4,19H2,1-2H3
InChIKeyIYWJQSJHDIECKG-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.75
Rot. Bonds7

About 2,2-diethoxy-1-(4-phenylphenyl)ethanamine

2,2-diethoxy-1-(4-phenylphenyl)ethanamine (PubChem CID 79489021) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2,2-diethoxy-1-(4-phenylphenyl)ethanamine.

Molecular Properties

Compound Name2,2-diethoxy-1-(4-phenylphenyl)ethanamine
PubChem CID79489021
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2,2-diethoxy-1-(4-phenylphenyl)ethanamine
SMILESCCOC(OCC)C(N)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-3-20-18(21-4-2)17(19)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h5-13,17-18H,3-4,19H2,1-2H3
InChIKeyIYWJQSJHDIECKG-UHFFFAOYSA-N
XLogP3.75
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(4-chlorophenyl)-2,2-diethoxyethanamine
CID 162516854
ethyl (3S)-3-amino-2-fluoro-3-(4-phenylphenyl)propanoate
CID 171249187
2-methyl-1-(4-phenylphenyl)pentan-1-amine
CID 43094240
ethyl 2-fluoro-2-(4-phenylphenyl)acetate
CID 21405824
1-(4-phenylphenyl)butan-1-amine
CID 43197430
2,2-diethoxy-1-(3-methoxyphenyl)ethanamine
CID 79495192
ethyl (3S)-3-amino-3-(4-phenylphenyl)propanoate
CID 29059678
2-(4-phenylphenyl)pentan-3-amine
CID 79308070
ethyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate
CID 885195
2-ethyl-2-methoxy-1-(4-phenylphenyl)butan-1-amine
CID 116760612
(1S)-1-(4-phenylphenyl)ethanamine;hydrochloride
CID 54594942
(1R)-2,2-diethoxy-1-phenylethanol
CID 24856463

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-1-(4-phenylphenyl)ethanamine?
The IUPAC name of 2,2-diethoxy-1-(4-phenylphenyl)ethanamine (CID 79489021) is 2,2-diethoxy-1-(4-phenylphenyl)ethanamine.
What is the SMILES notation for 2,2-diethoxy-1-(4-phenylphenyl)ethanamine?
The canonical SMILES for 2,2-diethoxy-1-(4-phenylphenyl)ethanamine is CCOC(OCC)C(N)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2,2-diethoxy-1-(4-phenylphenyl)ethanamine?
The InChIKey is IYWJQSJHDIECKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-20-18(21-4-2)17(19)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h5-13,17-18H,3-4,19H2,1-2H3.
What are the key properties of 2,2-diethoxy-1-(4-phenylphenyl)ethanamine?
2,2-diethoxy-1-(4-phenylphenyl)ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-1-(4-phenylphenyl)ethanamine is sourced from PubChem (CID 79489021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).