[(1-methyl-2,3-dihydro-1-benzoborol-7-yl)amino]methanol

C10H14BNO — CID 59515328

IUPAC[(1-methyl-2,3-dihydro-1-benzoborol-7-yl)amino]methanol
SMILESCB1CCc2cccc(NCO)c21
InChIInChI=1S/C10H14BNO/c1-11-6-5-8-3-2-4-9(10(8)11)12-7-13/h2-4,12-13H,5-7H2,1H3
InChIKeyFDFUZXNUTHVEJO-UHFFFAOYSA-N
MW175.04 g/mol
LogP0.94
Rot. Bonds2

About [(1-methyl-2,3-dihydro-1-benzoborol-7-yl)amino]methanol

[(1-methyl-2,3-dihydro-1-benzoborol-7-yl)amino]methanol (PubChem CID 59515328) has the molecular formula C10H14BNO and a molecular weight of 175.04 g/mol. Its IUPAC name is [(1-methyl-2,3-dihydro-1-benzoborol-7-yl)amino]methanol.

Molecular Properties

Compound Name[(1-methyl-2,3-dihydro-1-benzoborol-7-yl)amino]methanol
PubChem CID59515328
Molecular FormulaC10H14BNO
Molecular Weight175.04 g/mol
Exact Mass175.12
IUPAC Name[(1-methyl-2,3-dihydro-1-benzoborol-7-yl)amino]methanol
SMILESCB1CCc2cccc(NCO)c21
InChIInChI=1S/C10H14BNO/c1-11-6-5-8-3-2-4-9(10(8)11)12-7-13/h2-4,12-13H,5-7H2,1H3
InChIKeyFDFUZXNUTHVEJO-UHFFFAOYSA-N
XLogP0.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.04
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-fluoro-3-(trifluoromethyl)anilino]methanol
CID 143384342
2-methyl-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]butan-1-ol
CID 81411790
2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanol
CID 28573020
methyl 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetate
CID 43179666
1-tert-butyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 5016526
N-(5-fluoro-2-methylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide
CID 37478676
[(2-chloro-3-pyridinyl)amino]methanol;ethane
CID 158340560
N-(tert-butylcarbamoyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide
CID 26509429
2-(methylamino)acetic acid;methylaminomethanol;1-methyl-3H-2,1-benzoxaborole;bis(1-methyl-2,3-dihydro-1-benzoborole);N'-methylmethanediamine;rutherfordium
CID 158569728
3,3,3-trifluoro-N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propanamide
CID 62953750
N-(2-phenylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide
CID 55345448
N-propyl-2,3-dihydro-1H-inden-4-amine
CID 129164369

Frequently Asked Questions

What is the IUPAC name of [(1-methyl-2,3-dihydro-1-benzoborol-7-yl)amino]methanol?
The IUPAC name of [(1-methyl-2,3-dihydro-1-benzoborol-7-yl)amino]methanol (CID 59515328) is [(1-methyl-2,3-dihydro-1-benzoborol-7-yl)amino]methanol.
What is the SMILES notation for [(1-methyl-2,3-dihydro-1-benzoborol-7-yl)amino]methanol?
The canonical SMILES for [(1-methyl-2,3-dihydro-1-benzoborol-7-yl)amino]methanol is CB1CCc2cccc(NCO)c21.
What is the InChIKey of [(1-methyl-2,3-dihydro-1-benzoborol-7-yl)amino]methanol?
The InChIKey is FDFUZXNUTHVEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BNO/c1-11-6-5-8-3-2-4-9(10(8)11)12-7-13/h2-4,12-13H,5-7H2,1H3.
What are the key properties of [(1-methyl-2,3-dihydro-1-benzoborol-7-yl)amino]methanol?
[(1-methyl-2,3-dihydro-1-benzoborol-7-yl)amino]methanol has a molecular weight of 175.04 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-methyl-2,3-dihydro-1-benzoborol-7-yl)amino]methanol is sourced from PubChem (CID 59515328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).