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

C21H22FNO2 — CID 4715869

IUPAC1-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
SMILESCC(O)CNCc1c(OCc2ccc(F)cc2)ccc2ccccc12
InChIInChI=1S/C21H22FNO2/c1-15(24)12-23-13-20-19-5-3-2-4-17(19)8-11-21(20)25-14-16-6-9-18(22)10-7-16/h2-11,15,23-24H,12-14H2,1H3
InChIKeyZSJFLHASBREOPB-UHFFFAOYSA-N
MW339.41 g/mol
LogP4.03
Rot. Bonds7

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

1-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol (PubChem CID 4715869) has the molecular formula C21H22FNO2 and a molecular weight of 339.41 g/mol. Its IUPAC name is 1-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
PubChem CID4715869
Molecular FormulaC21H22FNO2
Molecular Weight339.41 g/mol
Exact Mass339.16
IUPAC Name1-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
SMILESCC(O)CNCc1c(OCc2ccc(F)cc2)ccc2ccccc12
InChIInChI=1S/C21H22FNO2/c1-15(24)12-23-13-20-19-5-3-2-4-17(19)8-11-21(20)25-14-16-6-9-18(22)10-7-16/h2-11,15,23-24H,12-14H2,1H3
InChIKeyZSJFLHASBREOPB-UHFFFAOYSA-N
XLogP4.03
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 54.03
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
(2S)-1-(2-Ethylphenoxy)-3-(((1S)-1,2,3,4-tetrahydro-1-naphthalenyl)amino)-2-propanol
CID 5311452
N-[2-(3H-Benzo[f]chromen-10-yl)-ethyl]-acetamide
CID 15340632
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
2,8-Dioxadodecane, 1,12-bis(6-methoxy-2-naphthalenyl)-, monohydrochloride
CID 393608

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol?
The IUPAC name of 1-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol (CID 4715869) is 1-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol.
What is the SMILES notation for 1-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol?
The canonical SMILES for 1-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol is CC(O)CNCc1c(OCc2ccc(F)cc2)ccc2ccccc12.
What is the InChIKey of 1-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol?
The InChIKey is ZSJFLHASBREOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO2/c1-15(24)12-23-13-20-19-5-3-2-4-17(19)8-11-21(20)25-14-16-6-9-18(22)10-7-16/h2-11,15,23-24H,12-14H2,1H3.
What are the key properties of 1-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol?
1-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol has a molecular weight of 339.41 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol is sourced from PubChem (CID 4715869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).