(2R)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol

C20H27NO2 — CID 2086464

IUPAC(2R)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol
SMILESO[C@H](CNC1CCCCCC1)COc1cccc2ccccc12
InChIInChI=1S/C20H27NO2/c22-18(14-21-17-10-3-1-2-4-11-17)15-23-20-13-7-9-16-8-5-6-12-19(16)20/h5-9,12-13,17-18,21-22H,1-4,10-11,14-15H2/t18-/m1/s1
InChIKeyBQQIGHILYUCELW-GOSISDBHSA-N
MW313.44 g/mol
LogP3.89
Rot. Bonds6

About (2R)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol

(2R)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol (PubChem CID 2086464) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is (2R)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol
PubChem CID2086464
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name(2R)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol
SMILESO[C@H](CNC1CCCCCC1)COc1cccc2ccccc12
InChIInChI=1S/C20H27NO2/c22-18(14-21-17-10-3-1-2-4-11-17)15-23-20-13-7-9-16-8-5-6-12-19(16)20/h5-9,12-13,17-18,21-22H,1-4,10-11,14-15H2/t18-/m1/s1
InChIKeyBQQIGHILYUCELW-GOSISDBHSA-N
XLogP3.89
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 2086466
1-[(1-methylpiperidin-4-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 23934706
1-naphthalen-1-yloxy-3-[[(3R)-pyrrolidin-3-yl]amino]propan-2-ol
CID 71182163
(2R)-1-(2-bromophenoxy)-3-(cyclohexylamino)propan-2-ol
CID 804670
1-(cyclooctylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 4799215
1-cyclopentyl-3-naphthalen-1-yloxypropan-2-ol
CID 103160605
1-cyclopentyl-2-naphthalen-1-yloxyethanol
CID 104753513
1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 62414951
1-[2-[(2S)-3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone
CID 1248675
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
(2R)-1-(cyclopentylamino)-3-(2-nitrophenoxy)propan-2-ol
CID 1266890
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol?
The IUPAC name of (2R)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol (CID 2086464) is (2R)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol.
What is the SMILES notation for (2R)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol?
The canonical SMILES for (2R)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol is O[C@H](CNC1CCCCCC1)COc1cccc2ccccc12.
What is the InChIKey of (2R)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol?
The InChIKey is BQQIGHILYUCELW-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27NO2/c22-18(14-21-17-10-3-1-2-4-11-17)15-23-20-13-7-9-16-8-5-6-12-19(16)20/h5-9,12-13,17-18,21-22H,1-4,10-11,14-15H2/t18-/m1/s1.
What are the key properties of (2R)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol?
(2R)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol has a molecular weight of 313.44 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol is sourced from PubChem (CID 2086464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).