2-[bis(4-fluorophenyl)methoxy]-N-[bis(4-fluorophenyl)methyl]ethanamine

C28H23F4NO — CID 4301453

IUPAC2-[bis(4-fluorophenyl)methoxy]-N-[bis(4-fluorophenyl)methyl]ethanamine
SMILESFc1ccc(C(NCCOC(c2ccc(F)cc2)c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C28H23F4NO/c29-23-9-1-19(2-10-23)27(20-3-11-24(30)12-4-20)33-17-18-34-28(21-5-13-25(31)14-6-21)22-7-15-26(32)16-8-22/h1-16,27-28,33H,17-18H2
InChIKeyOJVCWUAEBOBNRP-UHFFFAOYSA-N
MW465.49 g/mol
LogP6.73
Rot. Bonds9

About 2-[bis(4-fluorophenyl)methoxy]-N-[bis(4-fluorophenyl)methyl]ethanamine

2-[bis(4-fluorophenyl)methoxy]-N-[bis(4-fluorophenyl)methyl]ethanamine (PubChem CID 4301453) has the molecular formula C28H23F4NO and a molecular weight of 465.49 g/mol. Its IUPAC name is 2-[bis(4-fluorophenyl)methoxy]-N-[bis(4-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-[bis(4-fluorophenyl)methoxy]-N-[bis(4-fluorophenyl)methyl]ethanamine
PubChem CID4301453
Molecular FormulaC28H23F4NO
Molecular Weight465.49 g/mol
Exact Mass465.17
IUPAC Name2-[bis(4-fluorophenyl)methoxy]-N-[bis(4-fluorophenyl)methyl]ethanamine
SMILESFc1ccc(C(NCCOC(c2ccc(F)cc2)c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C28H23F4NO/c29-23-9-1-19(2-10-23)27(20-3-11-24(30)12-4-20)33-17-18-34-28(21-5-13-25(31)14-6-21)22-7-15-26(32)16-8-22/h1-16,27-28,33H,17-18H2
InChIKeyOJVCWUAEBOBNRP-UHFFFAOYSA-N
XLogP6.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.49
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-3-((3,5-Bis(trifluoromethyl)phenyl)methoxy)-2-phenylpiperidine
CID 132846
L-733,060 hydrochloride
CID 11957600
(R)-3-((1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-N-benzyl-3-phenylcyclobutanamine
CID 10128366
(S)-2-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-2-phenylpiperidine
CID 11712457
(2S)-1-(4-{2-[bis(4-fluorophenyl)methoxy]ethyl}piperazin-1-yl)-3-phenylpropan-2-amine
CID 24825320
(2R)-1-(4-{2-[bis(4-fluorophenyl)methoxy]ethyl}piperazin-1-yl)-3-phenylpropan-2-amine
CID 24825321
1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2S)-1-fluoro-3-phenylpropan-2-yl]piperazine
CID 24825335
1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2R)-1-fluoro-3-phenylpropan-2-yl]piperazine
CID 24825336
3-Benzyloxy-2-phenyl-piperidine
CID 44331794
1-[2-[(3,5-Difluorophenyl)methoxy]-1-phenylethyl]piperazine
CID 44338530
2-({[3,5-Bis(trifluoromethyl)phenyl]methoxy}methyl)-2-phenylpiperidine
CID 44346206
(2-Benzhydryloxy-ethyl)-(1-benzyl-piperidin-4-yl)-amine
CID 10525046

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-fluorophenyl)methoxy]-N-[bis(4-fluorophenyl)methyl]ethanamine?
The IUPAC name of 2-[bis(4-fluorophenyl)methoxy]-N-[bis(4-fluorophenyl)methyl]ethanamine (CID 4301453) is 2-[bis(4-fluorophenyl)methoxy]-N-[bis(4-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for 2-[bis(4-fluorophenyl)methoxy]-N-[bis(4-fluorophenyl)methyl]ethanamine?
The canonical SMILES for 2-[bis(4-fluorophenyl)methoxy]-N-[bis(4-fluorophenyl)methyl]ethanamine is Fc1ccc(C(NCCOC(c2ccc(F)cc2)c2ccc(F)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[bis(4-fluorophenyl)methoxy]-N-[bis(4-fluorophenyl)methyl]ethanamine?
The InChIKey is OJVCWUAEBOBNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F4NO/c29-23-9-1-19(2-10-23)27(20-3-11-24(30)12-4-20)33-17-18-34-28(21-5-13-25(31)14-6-21)22-7-15-26(32)16-8-22/h1-16,27-28,33H,17-18H2.
What are the key properties of 2-[bis(4-fluorophenyl)methoxy]-N-[bis(4-fluorophenyl)methyl]ethanamine?
2-[bis(4-fluorophenyl)methoxy]-N-[bis(4-fluorophenyl)methyl]ethanamine has a molecular weight of 465.49 g/mol, XLogP of 6.73, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-fluorophenyl)methoxy]-N-[bis(4-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 4301453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).