N,N-dibenzyl-1-(4-fluorophenyl)-2,2-dimethoxyethanamine

C24H26FNO2 — CID 71490599

IUPACN,N-dibenzyl-1-(4-fluorophenyl)-2,2-dimethoxyethanamine
SMILESCOC(OC)C(c1ccc(F)cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H26FNO2/c1-27-24(28-2)23(21-13-15-22(25)16-14-21)26(17-19-9-5-3-6-10-19)18-20-11-7-4-8-12-20/h3-16,23-24H,17-18H2,1-2H3
InChIKeyNFIAPYVENQKLSI-UHFFFAOYSA-N
MW379.48 g/mol
LogP5.19
Rot. Bonds9

About N,N-dibenzyl-1-(4-fluorophenyl)-2,2-dimethoxyethanamine

N,N-dibenzyl-1-(4-fluorophenyl)-2,2-dimethoxyethanamine (PubChem CID 71490599) has the molecular formula C24H26FNO2 and a molecular weight of 379.48 g/mol. Its IUPAC name is N,N-dibenzyl-1-(4-fluorophenyl)-2,2-dimethoxyethanamine.

Molecular Properties

Compound NameN,N-dibenzyl-1-(4-fluorophenyl)-2,2-dimethoxyethanamine
PubChem CID71490599
Molecular FormulaC24H26FNO2
Molecular Weight379.48 g/mol
Exact Mass379.19
IUPAC NameN,N-dibenzyl-1-(4-fluorophenyl)-2,2-dimethoxyethanamine
SMILESCOC(OC)C(c1ccc(F)cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H26FNO2/c1-27-24(28-2)23(21-13-15-22(25)16-14-21)26(17-19-9-5-3-6-10-19)18-20-11-7-4-8-12-20/h3-16,23-24H,17-18H2,1-2H3
InChIKeyNFIAPYVENQKLSI-UHFFFAOYSA-N
XLogP5.19
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.48
LogP ≤ 55.19
H-Bond Donors ≤ 50
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

Aprepitant Impurity 81
CID 123159573
(s)-N,N-dibenzylphenylglycinol
CID 10734282
(2S,3R)-3-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholin-2-ol
CID 11833536
(1S,2R)-1-(dibenzylamino)-3-fluoro-3-methyl-1-phenylbutan-2-ol
CID 53343017
(1S,2R,3S)-1-(dibenzylamino)-3-fluoro-1-phenylbutan-2-ol
CID 71501124
(3R,5R)-4-benzyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-5-phenylmorpholin-2-one
CID 101786886
(10S)-10-benzyl-9-methyl-12-oxa-9-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene
CID 102241228
trans-4-Benzyl-3-phenyl-morpholin-2-ol
CID 10516129
4-Benzyl-3-phenylmorpholin-2-ol
CID 15501116
N,N-dibenzyl-1,1-dimethoxy-3-methylbutan-2-amine
CID 66587526
1-[(4-Fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol
CID 24713118
2-Benzyl-4-(2-fluorobenzyl)morpholine
CID 45194877

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-1-(4-fluorophenyl)-2,2-dimethoxyethanamine?
The IUPAC name of N,N-dibenzyl-1-(4-fluorophenyl)-2,2-dimethoxyethanamine (CID 71490599) is N,N-dibenzyl-1-(4-fluorophenyl)-2,2-dimethoxyethanamine.
What is the SMILES notation for N,N-dibenzyl-1-(4-fluorophenyl)-2,2-dimethoxyethanamine?
The canonical SMILES for N,N-dibenzyl-1-(4-fluorophenyl)-2,2-dimethoxyethanamine is COC(OC)C(c1ccc(F)cc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-1-(4-fluorophenyl)-2,2-dimethoxyethanamine?
The InChIKey is NFIAPYVENQKLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO2/c1-27-24(28-2)23(21-13-15-22(25)16-14-21)26(17-19-9-5-3-6-10-19)18-20-11-7-4-8-12-20/h3-16,23-24H,17-18H2,1-2H3.
What are the key properties of N,N-dibenzyl-1-(4-fluorophenyl)-2,2-dimethoxyethanamine?
N,N-dibenzyl-1-(4-fluorophenyl)-2,2-dimethoxyethanamine has a molecular weight of 379.48 g/mol, XLogP of 5.19, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-1-(4-fluorophenyl)-2,2-dimethoxyethanamine is sourced from PubChem (CID 71490599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).