5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pentan-1-ol

C13H19NO3 — CID 111770367

IUPAC5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pentan-1-ol
SMILESOCCCCCNc1cccc2c1OCCO2
InChIInChI=1S/C13H19NO3/c15-8-3-1-2-7-14-11-5-4-6-12-13(11)17-10-9-16-12/h4-6,14-15H,1-3,7-10H2
InChIKeyHPQQNOKPYXNTBH-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.03
Rot. Bonds6

About 5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pentan-1-ol

5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pentan-1-ol (PubChem CID 111770367) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pentan-1-ol
PubChem CID111770367
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pentan-1-ol
SMILESOCCCCCNc1cccc2c1OCCO2
InChIInChI=1S/C13H19NO3/c15-8-3-1-2-7-14-11-5-4-6-12-13(11)17-10-9-16-12/h4-6,14-15H,1-3,7-10H2
InChIKeyHPQQNOKPYXNTBH-UHFFFAOYSA-N
XLogP2.03
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(2,3-dihydro-1,4-benzodioxin-5-yl)ethane-1,2-diamine
CID 53433622
5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol
CID 165350008
6-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)hexan-1-ol
CID 103924139
4-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)butan-1-ol
CID 106840547
4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]butan-1-ol
CID 115217387
N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxin-5-amine;hydrochloride
CID 115587292
3-(4-hydroxybutylamino)benzene-1,2-diol
CID 54456176
(4S)-4-amino-4-(2,3-dihydro-1,4-benzodioxin-5-yl)butan-1-ol;hydrochloride
CID 171233250
5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 47062073
4-(naphthalen-1-ylamino)butan-1-ol;hydrochloride
CID 139629187
3-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)propan-1-ol
CID 117297659
N-butan-2-yl-2,3-dihydro-1,4-benzodioxin-5-amine
CID 115919038

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pentan-1-ol?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pentan-1-ol (CID 111770367) is 5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pentan-1-ol.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pentan-1-ol?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pentan-1-ol is OCCCCCNc1cccc2c1OCCO2.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pentan-1-ol?
The InChIKey is HPQQNOKPYXNTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c15-8-3-1-2-7-14-11-5-4-6-12-13(11)17-10-9-16-12/h4-6,14-15H,1-3,7-10H2.
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pentan-1-ol?
5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pentan-1-ol has a molecular weight of 237.30 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pentan-1-ol is sourced from PubChem (CID 111770367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).