CID 143786080

C19H24NO2 — CID 143786080

IUPAC—
SMILESCC(CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCC1=C[C]12
InChIInChI=1S/C19H24NO2/c1-13(12-20-7-2-3-8-20)19(21)15-4-5-16-17-10-14(17)6-9-22-18(16)11-15/h4-5,10-11,13,19,21H,2-3,6-9,12H2,1H3/t13?,19-/m0/s1
InChIKeyLSEYMPDMKUXUDP-YFKXAPIDSA-N
MW298.41 g/mol
LogP3.10
Rot. Bonds4

About CID 143786080

CID 143786080 (PubChem CID 143786080) has the molecular formula C19H24NO2 and a molecular weight of 298.41 g/mol.

Molecular Properties

Compound NameCID 143786080
PubChem CID143786080
Molecular FormulaC19H24NO2
Molecular Weight298.41 g/mol
Exact Mass298.18
IUPAC Name—
SMILESCC(CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCC1=C[C]12
InChIInChI=1S/C19H24NO2/c1-13(12-20-7-2-3-8-20)19(21)15-4-5-16-17-10-14(17)6-9-22-18(16)11-15/h4-5,10-11,13,19,21H,2-3,6-9,12H2,1H3/t13?,19-/m0/s1
InChIKeyLSEYMPDMKUXUDP-YFKXAPIDSA-N
XLogP3.10
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 129295924
(2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70826390
2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 20747757
(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropane-1,3-diol
CID 122470622
(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-heptyloxiran-2-yl)amino]-3-pyrrolidin-1-ylpropan-1-ol
CID 126605202
2-(benzylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol;ethane;methanol
CID 145298385
(1R,2R)-2-amino-1-[(3S)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]-3-piperidin-1-ylpropan-1-ol
CID 134288494
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)propan-1-amine
CID 61475275
(1S,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-hexyl-2,3-dihydro-1H-pyrazol-3-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 59531196
(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-hexyl-1,2-dihydrotriazol-3-yl)-3-pyrrolidin-1-ylpropan-1-ol;methane
CID 161260302
(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-pyrrolidin-1-ylpropan-1-ol
CID 164791358
N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 70249423

Frequently Asked Questions

What is the IUPAC name of CID 143786080?
The IUPAC name of CID 143786080 (CID 143786080) is not available.
What is the SMILES notation for CID 143786080?
The canonical SMILES for CID 143786080 is CC(CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCC1=C[C]12.
What is the InChIKey of CID 143786080?
The InChIKey is LSEYMPDMKUXUDP-YFKXAPIDSA-N. The full InChI is InChI=1S/C19H24NO2/c1-13(12-20-7-2-3-8-20)19(21)15-4-5-16-17-10-14(17)6-9-22-18(16)11-15/h4-5,10-11,13,19,21H,2-3,6-9,12H2,1H3/t13?,19-/m0/s1.
What are the key properties of CID 143786080?
CID 143786080 has a molecular weight of 298.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143786080 is sourced from PubChem (CID 143786080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).