N,N-dibenzyl-5-fluoro-4-methyl-2-phenylmethoxyaniline

C28H26FNO — CID 167437602

IUPACN,N-dibenzyl-5-fluoro-4-methyl-2-phenylmethoxyaniline
SMILESCc1cc(OCc2ccccc2)c(N(Cc2ccccc2)Cc2ccccc2)cc1F
InChIInChI=1S/C28H26FNO/c1-22-17-28(31-21-25-15-9-4-10-16-25)27(18-26(22)29)30(19-23-11-5-2-6-12-23)20-24-13-7-3-8-14-24/h2-18H,19-21H2,1H3
InChIKeyQNKBYKXFNYBHNU-UHFFFAOYSA-N
MW411.52 g/mol
LogP6.92
Rot. Bonds8

About N,N-dibenzyl-5-fluoro-4-methyl-2-phenylmethoxyaniline

N,N-dibenzyl-5-fluoro-4-methyl-2-phenylmethoxyaniline (PubChem CID 167437602) has the molecular formula C28H26FNO and a molecular weight of 411.52 g/mol. Its IUPAC name is N,N-dibenzyl-5-fluoro-4-methyl-2-phenylmethoxyaniline.

Molecular Properties

Compound NameN,N-dibenzyl-5-fluoro-4-methyl-2-phenylmethoxyaniline
PubChem CID167437602
Molecular FormulaC28H26FNO
Molecular Weight411.52 g/mol
Exact Mass411.20
IUPAC NameN,N-dibenzyl-5-fluoro-4-methyl-2-phenylmethoxyaniline
SMILESCc1cc(OCc2ccccc2)c(N(Cc2ccccc2)Cc2ccccc2)cc1F
InChIInChI=1S/C28H26FNO/c1-22-17-28(31-21-25-15-9-4-10-16-25)27(18-26(22)29)30(19-23-11-5-2-6-12-23)20-24-13-7-3-8-14-24/h2-18H,19-21H2,1H3
InChIKeyQNKBYKXFNYBHNU-UHFFFAOYSA-N
XLogP6.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.52
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene
CID 164894745
2,3-difluoro-1-methyl-4-phenylmethoxybenzene
CID 57470603
1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene
CID 90166919
1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene
CID 135397184
1-fluoro-4-methyl-5-nitro-2-phenylmethoxybenzene
CID 22414647
2-fluoro-5-methyl-4-phenylmethoxybenzoic acid
CID 163198021
4,5-difluoro-2-phenylmethoxybenzaldehyde
CID 129164784
3,4-difluoro-N,N-dimethyl-5-phenylmethoxyaniline
CID 71507610
N,N-dibenzyl-6-bromo-5-fluoro-2-methoxypyridin-3-amine
CID 171619528
4-bromo-2-fluoro-5-methylaniline;N,N-dibenzyl-4-bromo-2-fluoro-5-methylaniline
CID 160989196
2-[(3-chlorophenyl)methoxy]-5-fluoro-4-methylaniline
CID 103591049
1,3-difluoro-2-methyl-5-phenylmethoxybenzene;ethane
CID 142106571

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-5-fluoro-4-methyl-2-phenylmethoxyaniline?
The IUPAC name of N,N-dibenzyl-5-fluoro-4-methyl-2-phenylmethoxyaniline (CID 167437602) is N,N-dibenzyl-5-fluoro-4-methyl-2-phenylmethoxyaniline.
What is the SMILES notation for N,N-dibenzyl-5-fluoro-4-methyl-2-phenylmethoxyaniline?
The canonical SMILES for N,N-dibenzyl-5-fluoro-4-methyl-2-phenylmethoxyaniline is Cc1cc(OCc2ccccc2)c(N(Cc2ccccc2)Cc2ccccc2)cc1F.
What is the InChIKey of N,N-dibenzyl-5-fluoro-4-methyl-2-phenylmethoxyaniline?
The InChIKey is QNKBYKXFNYBHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FNO/c1-22-17-28(31-21-25-15-9-4-10-16-25)27(18-26(22)29)30(19-23-11-5-2-6-12-23)20-24-13-7-3-8-14-24/h2-18H,19-21H2,1H3.
What are the key properties of N,N-dibenzyl-5-fluoro-4-methyl-2-phenylmethoxyaniline?
N,N-dibenzyl-5-fluoro-4-methyl-2-phenylmethoxyaniline has a molecular weight of 411.52 g/mol, XLogP of 6.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-5-fluoro-4-methyl-2-phenylmethoxyaniline is sourced from PubChem (CID 167437602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).