2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]-1-phenylethanol

C26H24FNO2 — CID 4721076

IUPAC2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]-1-phenylethanol
SMILESOC(CNCc1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C26H24FNO2/c27-22-13-10-19(11-14-22)18-30-26-15-12-20-6-4-5-9-23(20)24(26)16-28-17-25(29)21-7-2-1-3-8-21/h1-15,25,28-29H,16-18H2
InChIKeyNFRMYGVHJWDVFK-UHFFFAOYSA-N
MW401.48 g/mol
LogP5.38
Rot. Bonds8

About 2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]-1-phenylethanol

2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]-1-phenylethanol (PubChem CID 4721076) has the molecular formula C26H24FNO2 and a molecular weight of 401.48 g/mol. Its IUPAC name is 2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]-1-phenylethanol
PubChem CID4721076
Molecular FormulaC26H24FNO2
Molecular Weight401.48 g/mol
Exact Mass401.18
IUPAC Name2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]-1-phenylethanol
SMILESOC(CNCc1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C26H24FNO2/c27-22-13-10-19(11-14-22)18-30-26-15-12-20-6-4-5-9-23(20)24(26)16-28-17-25(29)21-7-2-1-3-8-21/h1-15,25,28-29H,16-18H2
InChIKeyNFRMYGVHJWDVFK-UHFFFAOYSA-N
XLogP5.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.48
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Propanol, 1-benzylamino-3-(naphthyloxy)-
CID 205773
2-({[2-(Prop-2-en-1-yloxy)phenyl]methyl}amino)-1-[3-(trifluoromethyl)phenyl]ethan-1-ol
CID 23647924
2-({[2-(Benzyloxy)phenyl]methyl}amino)-1-[3-(trifluoromethyl)phenyl]ethan-1-ol
CID 23647925
2-({[2-(Benzyloxy)phenyl]methyl}amino)-1-(3-methoxyphenyl)ethan-1-ol
CID 23647931
2-({[2-(Benzyloxy)phenyl]methyl}amino)-1-[3-(hydroxymethyl)phenyl]ethan-1-ol
CID 23647932
3-[[2-(4-Tert-butylcyclohexyl)oxy-4-methylnaphthalen-1-yl]methylamino]propanoic acid
CID 77847762
2-[[4-[[3-[3-[[4-[(2-Hydroxyethylamino)methyl]-2-methylphenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-3-methylphenyl]methylamino]ethanol
CID 134230940
N-[(4-methoxynaphthalen-1-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 27271164
1-(2-(benzyloxy)naphthalen-1-yl)-N-methylmethanamine hydrochloride
CID 2964158
[3-(4-Fluoro-phenyl)-3-(naphthalen-1-yloxy)-propyl]-methyl-amine
CID 44359319
4-Methoxy-N-[(2-methoxyphenyl)methyl]-1-naphthalenemethanamine
CID 791864
N-[(2-methoxy-1-naphthyl)methyl]-2-phenylethanamine hydrochloride
CID 2838218

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]-1-phenylethanol?
The IUPAC name of 2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]-1-phenylethanol (CID 4721076) is 2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]-1-phenylethanol.
What is the SMILES notation for 2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]-1-phenylethanol?
The canonical SMILES for 2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]-1-phenylethanol is OC(CNCc1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccccc1.
What is the InChIKey of 2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]-1-phenylethanol?
The InChIKey is NFRMYGVHJWDVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FNO2/c27-22-13-10-19(11-14-22)18-30-26-15-12-20-6-4-5-9-23(20)24(26)16-28-17-25(29)21-7-2-1-3-8-21/h1-15,25,28-29H,16-18H2.
What are the key properties of 2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]-1-phenylethanol?
2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]-1-phenylethanol has a molecular weight of 401.48 g/mol, XLogP of 5.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]-1-phenylethanol is sourced from PubChem (CID 4721076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).