[4-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl formate

C23H22FNO2 — CID 118067597

IUPAC[4-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl formate
SMILESO=COCc1ccc(CN(Cc2ccccc2)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C23H22FNO2/c24-23-12-10-21(11-13-23)16-25(14-19-4-2-1-3-5-19)15-20-6-8-22(9-7-20)17-27-18-26/h1-13,18H,14-17H2
InChIKeyKSYKDEXKMOZBIE-UHFFFAOYSA-N
MW363.43 g/mol
LogP4.70
Rot. Bonds9

About [4-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl formate

[4-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl formate (PubChem CID 118067597) has the molecular formula C23H22FNO2 and a molecular weight of 363.43 g/mol. Its IUPAC name is [4-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl formate.

Molecular Properties

Compound Name[4-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl formate
PubChem CID118067597
Molecular FormulaC23H22FNO2
Molecular Weight363.43 g/mol
Exact Mass363.16
IUPAC Name[4-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl formate
SMILESO=COCc1ccc(CN(Cc2ccccc2)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C23H22FNO2/c24-23-12-10-21(11-13-23)16-25(14-19-4-2-1-3-5-19)15-20-6-8-22(9-7-20)17-27-18-26/h1-13,18H,14-17H2
InChIKeyKSYKDEXKMOZBIE-UHFFFAOYSA-N
XLogP4.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis[(4-fluorophenyl)methyl]-1-phenylmethanamine
CID 15526238
2-(dibenzylamino)ethyl formate
CID 24829039
2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
benzyl formate;2-methylazetidine
CID 159394402
3-[benzyl-[(4-fluorophenyl)methyl]amino]propanoic acid
CID 82327653
benzyl formate;1H-pyrazole
CID 175258603
benzyl formate;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 174582130
N-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 141339180
benzyl formate;ethane;4-fluoro-1-methylpiperidine
CID 143937887
benzyl formate;(3R,4R)-4-fluoropyrrolidin-3-amine
CID 174927682
[4-(ethenoxymethyl)phenyl]methyl formate
CID 139924907
(4-phosphanylphenyl)methyl formate
CID 91097019

Frequently Asked Questions

What is the IUPAC name of [4-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl formate?
The IUPAC name of [4-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl formate (CID 118067597) is [4-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl formate.
What is the SMILES notation for [4-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl formate?
The canonical SMILES for [4-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl formate is O=COCc1ccc(CN(Cc2ccccc2)Cc2ccc(F)cc2)cc1.
What is the InChIKey of [4-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl formate?
The InChIKey is KSYKDEXKMOZBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO2/c24-23-12-10-21(11-13-23)16-25(14-19-4-2-1-3-5-19)15-20-6-8-22(9-7-20)17-27-18-26/h1-13,18H,14-17H2.
What are the key properties of [4-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl formate?
[4-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl formate has a molecular weight of 363.43 g/mol, XLogP of 4.70, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl formate is sourced from PubChem (CID 118067597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).