1-naphthalen-1-yloxy-3-[[(3R)-pyrrolidin-3-yl]amino]propan-2-ol

C17H22N2O2 — CID 71182163

IUPAC1-naphthalen-1-yloxy-3-[[(3R)-pyrrolidin-3-yl]amino]propan-2-ol
SMILESOC(CN[C@@H]1CCNC1)COc1cccc2ccccc12
InChIInChI=1S/C17H22N2O2/c20-15(11-19-14-8-9-18-10-14)12-21-17-7-3-5-13-4-1-2-6-16(13)17/h1-7,14-15,18-20H,8-12H2/t14-,15?/m1/s1
InChIKeyWBOHGLTZDKJXKF-GICMACPYSA-N
MW286.38 g/mol
LogP1.53
Rot. Bonds6

About 1-naphthalen-1-yloxy-3-[[(3R)-pyrrolidin-3-yl]amino]propan-2-ol

1-naphthalen-1-yloxy-3-[[(3R)-pyrrolidin-3-yl]amino]propan-2-ol (PubChem CID 71182163) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-naphthalen-1-yloxy-3-[[(3R)-pyrrolidin-3-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-naphthalen-1-yloxy-3-[[(3R)-pyrrolidin-3-yl]amino]propan-2-ol
PubChem CID71182163
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-naphthalen-1-yloxy-3-[[(3R)-pyrrolidin-3-yl]amino]propan-2-ol
SMILESOC(CN[C@@H]1CCNC1)COc1cccc2ccccc12
InChIInChI=1S/C17H22N2O2/c20-15(11-19-14-8-9-18-10-14)12-21-17-7-3-5-13-4-1-2-6-16(13)17/h1-7,14-15,18-20H,8-12H2/t14-,15?/m1/s1
InChIKeyWBOHGLTZDKJXKF-GICMACPYSA-N
XLogP1.53
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 2086466
(2R)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 2086464
1-[(1-methylpiperidin-4-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 23934706
2-naphthalen-1-yloxy-N-piperidin-3-ylacetamide;hydrochloride
CID 119426850
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
1-cyclopentyl-3-naphthalen-1-yloxypropan-2-ol
CID 103160605
1-cyclopentyl-2-naphthalen-1-yloxyethanol
CID 104753513
1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol
CID 3076139
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 62414951
N-(2-hydroxy-3-naphthalen-1-yloxypropyl)ethanethioamide
CID 134858225

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yloxy-3-[[(3R)-pyrrolidin-3-yl]amino]propan-2-ol?
The IUPAC name of 1-naphthalen-1-yloxy-3-[[(3R)-pyrrolidin-3-yl]amino]propan-2-ol (CID 71182163) is 1-naphthalen-1-yloxy-3-[[(3R)-pyrrolidin-3-yl]amino]propan-2-ol.
What is the SMILES notation for 1-naphthalen-1-yloxy-3-[[(3R)-pyrrolidin-3-yl]amino]propan-2-ol?
The canonical SMILES for 1-naphthalen-1-yloxy-3-[[(3R)-pyrrolidin-3-yl]amino]propan-2-ol is OC(CN[C@@H]1CCNC1)COc1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yloxy-3-[[(3R)-pyrrolidin-3-yl]amino]propan-2-ol?
The InChIKey is WBOHGLTZDKJXKF-GICMACPYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-15(11-19-14-8-9-18-10-14)12-21-17-7-3-5-13-4-1-2-6-16(13)17/h1-7,14-15,18-20H,8-12H2/t14-,15?/m1/s1.
What are the key properties of 1-naphthalen-1-yloxy-3-[[(3R)-pyrrolidin-3-yl]amino]propan-2-ol?
1-naphthalen-1-yloxy-3-[[(3R)-pyrrolidin-3-yl]amino]propan-2-ol has a molecular weight of 286.38 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yloxy-3-[[(3R)-pyrrolidin-3-yl]amino]propan-2-ol is sourced from PubChem (CID 71182163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).