[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)cyclopentyl]methanol

C15H21NO3 — CID 103700403

IUPAC[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)cyclopentyl]methanol
SMILESOCC1CCCC1NCc1cccc2c1OCCO2
InChIInChI=1S/C15H21NO3/c17-10-12-4-1-5-13(12)16-9-11-3-2-6-14-15(11)19-8-7-18-14/h2-3,6,12-13,16-17H,1,4-5,7-10H2
InChIKeyMILUGNJPURPFOV-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.71
Rot. Bonds4

About [2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)cyclopentyl]methanol

[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)cyclopentyl]methanol (PubChem CID 103700403) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is [2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)cyclopentyl]methanol
PubChem CID103700403
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)cyclopentyl]methanol
SMILESOCC1CCCC1NCc1cccc2c1OCCO2
InChIInChI=1S/C15H21NO3/c17-10-12-4-1-5-13(12)16-9-11-3-2-6-14-15(11)19-8-7-18-14/h2-3,6,12-13,16-17H,1,4-5,7-10H2
InChIKeyMILUGNJPURPFOV-UHFFFAOYSA-N
XLogP1.71
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-ethylcyclohexan-1-amine
CID 43709254
3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]benzene-1,2-diol
CID 113357915
2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)oxolan-3-amine
CID 103864396
2-chloro-6-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]phenol
CID 113352464
[2-[(2-aminophenyl)methylamino]cyclopentyl]methanol
CID 106359504
[2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]cyclopentyl]methanol
CID 104756185
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43583512
4-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)cyclohexane-1-carboxylic acid
CID 120509927
4-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)cyclohexan-1-ol
CID 43583461
1-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)methanamine
CID 43583314
cyclopropyl-[(3S,4S)-4-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-3-ethylpiperidin-1-yl]methanone
CID 97026978
N-(1,3-benzodioxol-4-ylmethyl)-2-methylcyclohexan-1-amine
CID 43583510

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)cyclopentyl]methanol?
The IUPAC name of [2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)cyclopentyl]methanol (CID 103700403) is [2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)cyclopentyl]methanol?
The canonical SMILES for [2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)cyclopentyl]methanol is OCC1CCCC1NCc1cccc2c1OCCO2.
What is the InChIKey of [2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)cyclopentyl]methanol?
The InChIKey is MILUGNJPURPFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-10-12-4-1-5-13(12)16-9-11-3-2-6-14-15(11)19-8-7-18-14/h2-3,6,12-13,16-17H,1,4-5,7-10H2.
What are the key properties of [2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)cyclopentyl]methanol?
[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)cyclopentyl]methanol has a molecular weight of 263.34 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)cyclopentyl]methanol is sourced from PubChem (CID 103700403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).