2-[4-[3-(4-chlorophenyl)-5-phenylphenyl]phenoxy]-N,N-diethylethanamine

C30H30ClNO — CID 160547333

IUPAC2-[4-[3-(4-chlorophenyl)-5-phenylphenyl]phenoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C30H30ClNO/c1-3-32(4-2)18-19-33-30-16-12-25(13-17-30)28-21-26(23-8-6-5-7-9-23)20-27(22-28)24-10-14-29(31)15-11-24/h5-17,20-22H,3-4,18-19H2,1-2H3
InChIKeyQXPHUMMKELPDBX-UHFFFAOYSA-N
MW456.03 g/mol
LogP8.06
Rot. Bonds9

About 2-[4-[3-(4-chlorophenyl)-5-phenylphenyl]phenoxy]-N,N-diethylethanamine

2-[4-[3-(4-chlorophenyl)-5-phenylphenyl]phenoxy]-N,N-diethylethanamine (PubChem CID 160547333) has the molecular formula C30H30ClNO and a molecular weight of 456.03 g/mol. Its IUPAC name is 2-[4-[3-(4-chlorophenyl)-5-phenylphenyl]phenoxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[4-[3-(4-chlorophenyl)-5-phenylphenyl]phenoxy]-N,N-diethylethanamine
PubChem CID160547333
Molecular FormulaC30H30ClNO
Molecular Weight456.03 g/mol
Exact Mass455.20
IUPAC Name2-[4-[3-(4-chlorophenyl)-5-phenylphenyl]phenoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C30H30ClNO/c1-3-32(4-2)18-19-33-30-16-12-25(13-17-30)28-21-26(23-8-6-5-7-9-23)20-27(22-28)24-10-14-29(31)15-11-24/h5-17,20-22H,3-4,18-19H2,1-2H3
InChIKeyQXPHUMMKELPDBX-UHFFFAOYSA-N
XLogP8.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.03
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-chlorophenoxy)phenoxy]-N,N-diethylethanamine
CID 21318117
2-[4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]phenoxy]-N,N-diethylethanamine
CID 71776885
1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-phenylphenyl)ethanol
CID 175517595
N-[2-(4-chlorophenoxy)ethyl]-N-propylpropan-1-amine
CID 5261961
2-(3,5-dimethyl-4-phenylphenoxy)-N,N-diethylethanamine
CID 141121125
N,N-diethyl-2-[4-[2-[4-(4-methoxyphenyl)phenyl]ethynyl]phenoxy]ethanamine
CID 122184570
2-[4-(2,2-dichloro-1,3-dimethyl-3-phenylcyclopropyl)phenoxy]-N,N-diethylethanamine
CID 54113039
N'-[2-(4-chlorophenoxy)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79667626
N,N-diethyl-2-(2-phenylquinolin-7-yl)oxyethanamine
CID 154372459
N,N-diethyl-2-(4-fluorophenoxy)ethanamine
CID 867210
N-[2-(4-chlorophenoxy)ethyl]-N-ethylaniline;oxirane
CID 88818117
2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine;hydrobromide
CID 157036879

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-chlorophenyl)-5-phenylphenyl]phenoxy]-N,N-diethylethanamine?
The IUPAC name of 2-[4-[3-(4-chlorophenyl)-5-phenylphenyl]phenoxy]-N,N-diethylethanamine (CID 160547333) is 2-[4-[3-(4-chlorophenyl)-5-phenylphenyl]phenoxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[4-[3-(4-chlorophenyl)-5-phenylphenyl]phenoxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[4-[3-(4-chlorophenyl)-5-phenylphenyl]phenoxy]-N,N-diethylethanamine is CCN(CC)CCOc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of 2-[4-[3-(4-chlorophenyl)-5-phenylphenyl]phenoxy]-N,N-diethylethanamine?
The InChIKey is QXPHUMMKELPDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClNO/c1-3-32(4-2)18-19-33-30-16-12-25(13-17-30)28-21-26(23-8-6-5-7-9-23)20-27(22-28)24-10-14-29(31)15-11-24/h5-17,20-22H,3-4,18-19H2,1-2H3.
What are the key properties of 2-[4-[3-(4-chlorophenyl)-5-phenylphenyl]phenoxy]-N,N-diethylethanamine?
2-[4-[3-(4-chlorophenyl)-5-phenylphenyl]phenoxy]-N,N-diethylethanamine has a molecular weight of 456.03 g/mol, XLogP of 8.06, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-chlorophenyl)-5-phenylphenyl]phenoxy]-N,N-diethylethanamine is sourced from PubChem (CID 160547333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).