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

C21H22FNO2 — CID 7632508

IUPAC(2S)-1-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
SMILESC[C@H](O)CNCc1c(OCc2ccccc2F)ccc2ccccc12
InChIInChI=1S/C21H22FNO2/c1-15(24)12-23-13-19-18-8-4-2-6-16(18)10-11-21(19)25-14-17-7-3-5-9-20(17)22/h2-11,15,23-24H,12-14H2,1H3/t15-/m0/s1
InChIKeyNJNLXENWMKKLLB-HNNXBMFYSA-N
MW339.41 g/mol
LogP4.03
Rot. Bonds7

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

(2S)-1-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol (PubChem CID 7632508) has the molecular formula C21H22FNO2 and a molecular weight of 339.41 g/mol. Its IUPAC name is (2S)-1-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
PubChem CID7632508
Molecular FormulaC21H22FNO2
Molecular Weight339.41 g/mol
Exact Mass339.16
IUPAC Name(2S)-1-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
SMILESC[C@H](O)CNCc1c(OCc2ccccc2F)ccc2ccccc12
InChIInChI=1S/C21H22FNO2/c1-15(24)12-23-13-19-18-8-4-2-6-16(18)10-11-21(19)25-14-17-7-3-5-9-20(17)22/h2-11,15,23-24H,12-14H2,1H3/t15-/m0/s1
InChIKeyNJNLXENWMKKLLB-HNNXBMFYSA-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

Analyze (2S)-1-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol with MolForge

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Related Compounds

N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propan-1-amine;hydrochloride
CID 17289991
(2S)-1-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
CID 29186721
N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine
CID 17215574
(2S)-1-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
CID 51997008
[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl-[(2R)-2-hydroxypropyl]azanium
CID 7632509
N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-N-methylpropane-1,3-diamine
CID 4721072
(2R)-1-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]propan-2-ol
CID 51996892
N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724157
1-(4-fluorophenyl)-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride
CID 17293230
2-[2-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol
CID 17155107
2-[1-[(2-hydroxypropylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053529
N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride
CID 17295594

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol?
The IUPAC name of (2S)-1-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol (CID 7632508) is (2S)-1-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol is C[C@H](O)CNCc1c(OCc2ccccc2F)ccc2ccccc12.
What is the InChIKey of (2S)-1-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol?
The InChIKey is NJNLXENWMKKLLB-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H22FNO2/c1-15(24)12-23-13-19-18-8-4-2-6-16(18)10-11-21(19)25-14-17-7-3-5-9-20(17)22/h2-11,15,23-24H,12-14H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-1-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol?
(2S)-1-[[2-[(2-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 (2S)-1-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol is sourced from PubChem (CID 7632508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).