(2S)-1-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol

C21H21Cl2NO2 — CID 51997008

IUPAC(2S)-1-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
SMILESC[C@H](O)CNCc1c(OCc2c(Cl)cccc2Cl)ccc2ccccc12
InChIInChI=1S/C21H21Cl2NO2/c1-14(25)11-24-12-17-16-6-3-2-5-15(16)9-10-21(17)26-13-18-19(22)7-4-8-20(18)23/h2-10,14,24-25H,11-13H2,1H3/t14-/m0/s1
InChIKeyAVOOHFSJLQHEFV-AWEZNQCLSA-N
MW390.31 g/mol
LogP5.20
Rot. Bonds7

About (2S)-1-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol

(2S)-1-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol (PubChem CID 51997008) has the molecular formula C21H21Cl2NO2 and a molecular weight of 390.31 g/mol. Its IUPAC name is (2S)-1-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
PubChem CID51997008
Molecular FormulaC21H21Cl2NO2
Molecular Weight390.31 g/mol
Exact Mass389.09
IUPAC Name(2S)-1-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
SMILESC[C@H](O)CNCc1c(OCc2c(Cl)cccc2Cl)ccc2ccccc12
InChIInChI=1S/C21H21Cl2NO2/c1-14(25)11-24-12-17-16-6-3-2-5-15(16)9-10-21(17)26-13-18-19(22)7-4-8-20(18)23/h2-10,14,24-25H,11-13H2,1H3/t14-/m0/s1
InChIKeyAVOOHFSJLQHEFV-AWEZNQCLSA-N
XLogP5.20
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.31
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol with MolForge

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Related Compounds

(2S)-1-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
CID 29186721
(2S)-1-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
CID 7632508
(1S)-N-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
CID 51991944
(2R)-1-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]propan-2-ol
CID 51996892
2-[1-[(2-hydroxypropylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053529
1-[2-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]propan-2-ol
CID 17054897
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 4716502
(2R)-N-[[2-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine
CID 51992135
1-[2-[(2-methoxynaphthalen-1-yl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17295794
2-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride
CID 17291277
1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol
CID 115634692
(2S)-N-[[2-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-phenylbutan-2-amine
CID 51992178

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol?
The IUPAC name of (2S)-1-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol (CID 51997008) is (2S)-1-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol is C[C@H](O)CNCc1c(OCc2c(Cl)cccc2Cl)ccc2ccccc12.
What is the InChIKey of (2S)-1-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol?
The InChIKey is AVOOHFSJLQHEFV-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H21Cl2NO2/c1-14(25)11-24-12-17-16-6-3-2-5-15(16)9-10-21(17)26-13-18-19(22)7-4-8-20(18)23/h2-10,14,24-25H,11-13H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-1-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol?
(2S)-1-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol has a molecular weight of 390.31 g/mol, XLogP of 5.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol is sourced from PubChem (CID 51997008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).