(2R)-1-(1-adamantylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol

C20H28ClNO2 — CID 7984944

IUPAC(2R)-1-(1-adamantylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol
SMILESO[C@H](CNC12CC3CC(CC(C3)C1)C2)COCc1ccccc1Cl
InChIInChI=1S/C20H28ClNO2/c21-19-4-2-1-3-17(19)12-24-13-18(23)11-22-20-8-14-5-15(9-20)7-16(6-14)10-20/h1-4,14-16,18,22-23H,5-13H2/t14?,15?,16?,18-,20?/m1/s1
InChIKeyVLEOLNJPDGXZQI-ZVQXUQNISA-N
MW349.90 g/mol
LogP3.78
Rot. Bonds7

About (2R)-1-(1-adamantylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol

(2R)-1-(1-adamantylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol (PubChem CID 7984944) has the molecular formula C20H28ClNO2 and a molecular weight of 349.90 g/mol. Its IUPAC name is (2R)-1-(1-adamantylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(1-adamantylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol
PubChem CID7984944
Molecular FormulaC20H28ClNO2
Molecular Weight349.90 g/mol
Exact Mass349.18
IUPAC Name(2R)-1-(1-adamantylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol
SMILESO[C@H](CNC12CC3CC(CC(C3)C1)C2)COCc1ccccc1Cl
InChIInChI=1S/C20H28ClNO2/c21-19-4-2-1-3-17(19)12-24-13-18(23)11-22-20-8-14-5-15(9-20)7-16(6-14)10-20/h1-4,14-16,18,22-23H,5-13H2/t14?,15?,16?,18-,20?/m1/s1
InChIKeyVLEOLNJPDGXZQI-ZVQXUQNISA-N
XLogP3.78
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.90
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methoxy]-3-(cyclopropylamino)propan-2-ol
CID 43090643
N-[(2-chlorophenyl)methyl]adamantan-1-amine
CID 4719217
2-(1-adamantylamino)-1-(2-chlorophenyl)ethanol
CID 60903108
(2S)-1-[(2-chlorophenyl)methoxy]-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol
CID 7998352
1-[1-adamantyl(thiophen-2-ylmethyl)amino]-3-[(2-chlorophenyl)methoxy]propan-2-ol
CID 3969954
1-(butan-2-ylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol
CID 60633320
1-[(2-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol;oxalic acid
CID 126456729
1-[(2-chlorophenyl)methoxy]-3-(2-fluoroanilino)propan-2-ol
CID 60896667
1-[(2-chlorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 61469297
1-[(2-chlorophenyl)methoxy]-3-(2-methylprop-2-enylamino)propan-2-ol
CID 114616799
1-[(2-chlorophenyl)methoxy]-3-(5-methylhexylamino)propan-2-ol
CID 115325367
(2R)-1-[(2-chlorophenyl)methoxy]-3-[[(3R)-1,1-dioxothiolan-3-yl]amino]propan-2-ol
CID 2093686

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1-adamantylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol?
The IUPAC name of (2R)-1-(1-adamantylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol (CID 7984944) is (2R)-1-(1-adamantylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-(1-adamantylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol?
The canonical SMILES for (2R)-1-(1-adamantylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol is O[C@H](CNC12CC3CC(CC(C3)C1)C2)COCc1ccccc1Cl.
What is the InChIKey of (2R)-1-(1-adamantylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol?
The InChIKey is VLEOLNJPDGXZQI-ZVQXUQNISA-N. The full InChI is InChI=1S/C20H28ClNO2/c21-19-4-2-1-3-17(19)12-24-13-18(23)11-22-20-8-14-5-15(9-20)7-16(6-14)10-20/h1-4,14-16,18,22-23H,5-13H2/t14?,15?,16?,18-,20?/m1/s1.
What are the key properties of (2R)-1-(1-adamantylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol?
(2R)-1-(1-adamantylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol has a molecular weight of 349.90 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1-adamantylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol is sourced from PubChem (CID 7984944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).