1-(cyclopentylamino)-1-naphthalen-1-yloxypropan-2-ol

C18H23NO2 — CID 67826835

IUPAC1-(cyclopentylamino)-1-naphthalen-1-yloxypropan-2-ol
SMILESCC(O)C(NC1CCCC1)Oc1cccc2ccccc12
InChIInChI=1S/C18H23NO2/c1-13(20)18(19-15-9-3-4-10-15)21-17-12-6-8-14-7-2-5-11-16(14)17/h2,5-8,11-13,15,18-20H,3-4,9-10H2,1H3
InChIKeySFBZBHLDSRAHEJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.46
Rot. Bonds5

About 1-(cyclopentylamino)-1-naphthalen-1-yloxypropan-2-ol

1-(cyclopentylamino)-1-naphthalen-1-yloxypropan-2-ol (PubChem CID 67826835) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(cyclopentylamino)-1-naphthalen-1-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(cyclopentylamino)-1-naphthalen-1-yloxypropan-2-ol
PubChem CID67826835
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(cyclopentylamino)-1-naphthalen-1-yloxypropan-2-ol
SMILESCC(O)C(NC1CCCC1)Oc1cccc2ccccc12
InChIInChI=1S/C18H23NO2/c1-13(20)18(19-15-9-3-4-10-15)21-17-12-6-8-14-7-2-5-11-16(14)17/h2,5-8,11-13,15,18-20H,3-4,9-10H2,1H3
InChIKeySFBZBHLDSRAHEJ-UHFFFAOYSA-N
XLogP3.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(9H-carbazol-4-yloxy)-1-(piperidin-4-ylamino)propan-2-ol
CID 69126039
(2S)-N-cycloheptyl-2-naphthalen-1-yloxybutanamide
CID 30386318
1-cyclopentyl-2-naphthalen-1-yloxyethanol
CID 104753513
(2R)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 2086464
(2S)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 2086466
methylamino(naphthalen-1-yloxy)methanol
CID 173197602
1-(1-benzothiophen-4-yloxy)-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol
CID 67871953
2-naphthalen-1-yloxypropan-1-ol
CID 13259427
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-naphthalen-1-yloxyacetate
CID 3585051
molecular hydrogen;N-[(1R)-1-naphthalen-1-ylethyl]cyclohexanamine
CID 143807841
2-(cyclohexylamino)-2-naphthalen-1-ylethanol
CID 61047481
1-cyclopentyl-3-naphthalen-1-yloxypropan-2-ol
CID 103160605

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylamino)-1-naphthalen-1-yloxypropan-2-ol?
The IUPAC name of 1-(cyclopentylamino)-1-naphthalen-1-yloxypropan-2-ol (CID 67826835) is 1-(cyclopentylamino)-1-naphthalen-1-yloxypropan-2-ol.
What is the SMILES notation for 1-(cyclopentylamino)-1-naphthalen-1-yloxypropan-2-ol?
The canonical SMILES for 1-(cyclopentylamino)-1-naphthalen-1-yloxypropan-2-ol is CC(O)C(NC1CCCC1)Oc1cccc2ccccc12.
What is the InChIKey of 1-(cyclopentylamino)-1-naphthalen-1-yloxypropan-2-ol?
The InChIKey is SFBZBHLDSRAHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13(20)18(19-15-9-3-4-10-15)21-17-12-6-8-14-7-2-5-11-16(14)17/h2,5-8,11-13,15,18-20H,3-4,9-10H2,1H3.
What are the key properties of 1-(cyclopentylamino)-1-naphthalen-1-yloxypropan-2-ol?
1-(cyclopentylamino)-1-naphthalen-1-yloxypropan-2-ol has a molecular weight of 285.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylamino)-1-naphthalen-1-yloxypropan-2-ol is sourced from PubChem (CID 67826835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).