N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-4-fluoroaniline

C26H24FNO2 — CID 126202804

IUPACN-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-4-fluoroaniline
SMILESCCOc1cc(CNc2ccc(F)cc2)ccc1OCc1cccc2ccccc12
InChIInChI=1S/C26H24FNO2/c1-2-29-26-16-19(17-28-23-13-11-22(27)12-14-23)10-15-25(26)30-18-21-8-5-7-20-6-3-4-9-24(20)21/h3-16,28H,2,17-18H2,1H3
InChIKeyWKKJPCWRIHANJS-UHFFFAOYSA-N
MW401.48 g/mol
LogP6.57
Rot. Bonds8

About N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-4-fluoroaniline

N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-4-fluoroaniline (PubChem CID 126202804) has the molecular formula C26H24FNO2 and a molecular weight of 401.48 g/mol. Its IUPAC name is N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-4-fluoroaniline
PubChem CID126202804
Molecular FormulaC26H24FNO2
Molecular Weight401.48 g/mol
Exact Mass401.18
IUPAC NameN-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-4-fluoroaniline
SMILESCCOc1cc(CNc2ccc(F)cc2)ccc1OCc1cccc2ccccc12
InChIInChI=1S/C26H24FNO2/c1-2-29-26-16-19(17-28-23-13-11-22(27)12-14-23)10-15-25(26)30-18-21-8-5-7-20-6-3-4-9-24(20)21/h3-16,28H,2,17-18H2,1H3
InChIKeyWKKJPCWRIHANJS-UHFFFAOYSA-N
XLogP6.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.48
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline
CID 126118437
[2-ethoxy-5-[(4-fluorophenyl)methylamino]phenyl]methanol
CID 60980868
N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-4-phenoxyaniline
CID 126122837
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline
CID 126202114
N-[[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-4-ethoxyaniline
CID 126116410
1-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine
CID 169385385
4-methoxy-N-[[3-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline
CID 126124121
N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-4-fluoroaniline
CID 66542323
3-chloro-N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118405
4-[(3-ethoxy-4-phenylmethoxyphenyl)methylamino]benzoate
CID 3628131
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 4718394
3-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylaniline
CID 126125649

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-4-fluoroaniline?
The IUPAC name of N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-4-fluoroaniline (CID 126202804) is N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-4-fluoroaniline.
What is the SMILES notation for N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-4-fluoroaniline?
The canonical SMILES for N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-4-fluoroaniline is CCOc1cc(CNc2ccc(F)cc2)ccc1OCc1cccc2ccccc12.
What is the InChIKey of N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-4-fluoroaniline?
The InChIKey is WKKJPCWRIHANJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FNO2/c1-2-29-26-16-19(17-28-23-13-11-22(27)12-14-23)10-15-25(26)30-18-21-8-5-7-20-6-3-4-9-24(20)21/h3-16,28H,2,17-18H2,1H3.
What are the key properties of N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-4-fluoroaniline?
N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-4-fluoroaniline has a molecular weight of 401.48 g/mol, XLogP of 6.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-4-fluoroaniline is sourced from PubChem (CID 126202804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).