1-(naphthalen-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol

C17H22N2O — CID 60908807

IUPAC1-(naphthalen-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
SMILESOC(CNc1ccc2ccccc2c1)CN1CCCC1
InChIInChI=1S/C17H22N2O/c20-17(13-19-9-3-4-10-19)12-18-16-8-7-14-5-1-2-6-15(14)11-16/h1-2,5-8,11,17-18,20H,3-4,9-10,12-13H2
InChIKeyLIWLOZOIIQMCPD-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.71
Rot. Bonds5

About 1-(naphthalen-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol

1-(naphthalen-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 60908807) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(naphthalen-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(naphthalen-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID60908807
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(naphthalen-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
SMILESOC(CNc1ccc2ccccc2c1)CN1CCCC1
InChIInChI=1S/C17H22N2O/c20-17(13-19-9-3-4-10-19)12-18-16-8-7-14-5-1-2-6-15(14)11-16/h1-2,5-8,11,17-18,20H,3-4,9-10,12-13H2
InChIKeyLIWLOZOIIQMCPD-UHFFFAOYSA-N
XLogP2.71
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(naphthalen-2-ylamino)-3-pyrrolidin-1-ylpropan-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

tert-butyl 4-[2-hydroxy-3-(naphthalen-2-ylamino)propyl]piperazine-1-carboxylate
CID 57185615
1-cyclopentyl-3-(naphthalen-2-ylamino)propan-2-ol
CID 103157283
1-(4-ethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60896693
(2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol
CID 754051
1-pyrrolidin-1-yl-3-(thiophen-3-ylamino)propan-2-ol
CID 66352154
1-naphthalen-2-yloxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21237702
1-(2-ethylanilino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60901656
(2S)-1-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-1,4-diazepan-1-yl]-3-naphthalen-2-yloxypropan-2-ol
CID 1179349
1-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 56891397
3-ethyl-1-(naphthalen-2-ylamino)pentan-2-ol
CID 106287465
1-(2-methoxyethoxy)-3-(naphthalen-2-ylamino)propan-2-ol
CID 106989395
1-[4-(naphthalen-2-ylamino)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 70076254

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-(naphthalen-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol (CID 60908807) is 1-(naphthalen-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(naphthalen-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-(naphthalen-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol is OC(CNc1ccc2ccccc2c1)CN1CCCC1.
What is the InChIKey of 1-(naphthalen-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is LIWLOZOIIQMCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c20-17(13-19-9-3-4-10-19)12-18-16-8-7-14-5-1-2-6-15(14)11-16/h1-2,5-8,11,17-18,20H,3-4,9-10,12-13H2.
What are the key properties of 1-(naphthalen-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol?
1-(naphthalen-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 270.38 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 60908807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).