(2R)-1-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]propan-2-ol

C17H23NO2 — CID 51996892

IUPAC(2R)-1-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]propan-2-ol
SMILESCC(C)Oc1ccc2ccccc2c1CNC[C@@H](C)O
InChIInChI=1S/C17H23NO2/c1-12(2)20-17-9-8-14-6-4-5-7-15(14)16(17)11-18-10-13(3)19/h4-9,12-13,18-19H,10-11H2,1-3H3/t13-/m1/s1
InChIKeyUPYMZBKFFFQFSW-CYBMUJFWSA-N
MW273.38 g/mol
LogP3.10
Rot. Bonds6

About (2R)-1-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]propan-2-ol

(2R)-1-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]propan-2-ol (PubChem CID 51996892) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (2R)-1-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]propan-2-ol
PubChem CID51996892
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(2R)-1-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]propan-2-ol
SMILESCC(C)Oc1ccc2ccccc2c1CNC[C@@H](C)O
InChIInChI=1S/C17H23NO2/c1-12(2)20-17-9-8-14-6-4-5-7-15(14)16(17)11-18-10-13(3)19/h4-9,12-13,18-19H,10-11H2,1-3H3/t13-/m1/s1
InChIKeyUPYMZBKFFFQFSW-CYBMUJFWSA-N
XLogP3.10
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(2-methoxynaphthalen-1-yl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17295794
2-[1-[(2-hydroxypropylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053529
(2S)-1-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
CID 29186721
(2S)-1-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
CID 51997008
(2S)-1-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
CID 7632508
N,N'-bis[(2-propan-2-yloxynaphthalen-1-yl)methyl]hexane-1,6-diamine;methanesulfonic acid
CID 44531928
(2S)-1-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51675528
N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]ethanamine
CID 43505535
1-[2-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]propan-2-ol
CID 17054897
N-[(2-methoxynaphthalen-1-yl)methyl]-2-methylbutan-1-amine
CID 62693267
3-[1-[(2-methylpropylamino)methyl]naphthalen-2-yl]oxypropan-1-ol
CID 63056266
N-methyl-2-(2-propan-2-yloxynaphthalen-1-yl)ethanamine
CID 82550374

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]propan-2-ol?
The IUPAC name of (2R)-1-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]propan-2-ol (CID 51996892) is (2R)-1-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]propan-2-ol is CC(C)Oc1ccc2ccccc2c1CNC[C@@H](C)O.
What is the InChIKey of (2R)-1-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]propan-2-ol?
The InChIKey is UPYMZBKFFFQFSW-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12(2)20-17-9-8-14-6-4-5-7-15(14)16(17)11-18-10-13(3)19/h4-9,12-13,18-19H,10-11H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-1-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]propan-2-ol?
(2R)-1-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]propan-2-ol has a molecular weight of 273.38 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]propan-2-ol is sourced from PubChem (CID 51996892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).