4-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)methyl]oxan-4-ol

C17H25NO2 — CID 81131273

IUPAC4-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)methyl]oxan-4-ol
SMILESOC1(CNC2CCCCc3ccccc32)CCOCC1
InChIInChI=1S/C17H25NO2/c19-17(9-11-20-12-10-17)13-18-16-8-4-2-6-14-5-1-3-7-15(14)16/h1,3,5,7,16,18-19H,2,4,6,8-13H2
InChIKeyXZVPUAHYXSENKM-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.59
Rot. Bonds3

About 4-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)methyl]oxan-4-ol

4-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)methyl]oxan-4-ol (PubChem CID 81131273) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)methyl]oxan-4-ol
PubChem CID81131273
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)methyl]oxan-4-ol
SMILESOC1(CNC2CCCCc3ccccc32)CCOCC1
InChIInChI=1S/C17H25NO2/c19-17(9-11-20-12-10-17)13-18-16-8-4-2-6-14-5-1-3-7-15(14)16/h1,3,5,7,16,18-19H,2,4,6,8-13H2
InChIKeyXZVPUAHYXSENKM-UHFFFAOYSA-N
XLogP2.59
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)methyl]oxan-4-ol with MolForge

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Related Compounds

4-[(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)methyl]oxan-4-ol
CID 110010421
1-[(2,3-dihydro-1H-inden-1-ylamino)methyl]cyclohexan-1-ol
CID 54937894
4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]oxan-4-ol
CID 81130670
N-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43195481
3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]oxolan-3-ol
CID 84595637
4-[[[(5R)-8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]amino]methyl]oxan-4-ol
CID 99777281
N-(cyclopentylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43370921
4-[[[3-(2-fluorophenyl)cyclobutyl]amino]methyl]oxan-4-ol
CID 81131280
4-[[[3-(2-bromophenyl)cyclobutyl]amino]methyl]oxan-4-ol
CID 81131369
N'-hydroxy-2-[1-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]cyclopropyl]ethanimidamide
CID 77071115
N-[(1-methylsulfanylcyclobutyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107266111
4-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)methyl]cyclohexan-1-ol
CID 106126377

Frequently Asked Questions

What is the IUPAC name of 4-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)methyl]oxan-4-ol?
The IUPAC name of 4-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)methyl]oxan-4-ol (CID 81131273) is 4-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)methyl]oxan-4-ol?
The canonical SMILES for 4-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)methyl]oxan-4-ol is OC1(CNC2CCCCc3ccccc32)CCOCC1.
What is the InChIKey of 4-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)methyl]oxan-4-ol?
The InChIKey is XZVPUAHYXSENKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c19-17(9-11-20-12-10-17)13-18-16-8-4-2-6-14-5-1-3-7-15(14)16/h1,3,5,7,16,18-19H,2,4,6,8-13H2.
What are the key properties of 4-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)methyl]oxan-4-ol?
4-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)methyl]oxan-4-ol has a molecular weight of 275.39 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)methyl]oxan-4-ol is sourced from PubChem (CID 81131273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).