7-bromo-N-[(1-hydroxy-2,2,6,6-tetramethyl-3H-pyridin-4-yl)methyl]-9H-fluoren-2-amine;dihydrochloride

C23H29BrCl2N2O — CID 54586839

IUPAC7-bromo-N-[(1-hydroxy-2,2,6,6-tetramethyl-3H-pyridin-4-yl)methyl]-9H-fluoren-2-amine;dihydrochloride
SMILESCC1(C)C=C(CNc2ccc3c(c2)Cc2cc(Br)ccc2-3)CC(C)(C)N1O.Cl.Cl
InChIInChI=1S/C23H27BrN2O.2ClH/c1-22(2)12-15(13-23(3,4)26(22)27)14-25-19-6-8-21-17(11-19)9-16-10-18(24)5-7-20(16)21;;/h5-8,10-12,25,27H,9,13-14H2,1-4H3;2*1H
InChIKeyNJUGFAXSHZNLJJ-UHFFFAOYSA-N
MW500.31 g/mol
LogP6.85
Rot. Bonds3

About 7-bromo-N-[(1-hydroxy-2,2,6,6-tetramethyl-3H-pyridin-4-yl)methyl]-9H-fluoren-2-amine;dihydrochloride

7-bromo-N-[(1-hydroxy-2,2,6,6-tetramethyl-3H-pyridin-4-yl)methyl]-9H-fluoren-2-amine;dihydrochloride (PubChem CID 54586839) has the molecular formula C23H29BrCl2N2O and a molecular weight of 500.31 g/mol. Its IUPAC name is 7-bromo-N-[(1-hydroxy-2,2,6,6-tetramethyl-3H-pyridin-4-yl)methyl]-9H-fluoren-2-amine;dihydrochloride.

Molecular Properties

Compound Name7-bromo-N-[(1-hydroxy-2,2,6,6-tetramethyl-3H-pyridin-4-yl)methyl]-9H-fluoren-2-amine;dihydrochloride
PubChem CID54586839
Molecular FormulaC23H29BrCl2N2O
Molecular Weight500.31 g/mol
Exact Mass498.08
IUPAC Name7-bromo-N-[(1-hydroxy-2,2,6,6-tetramethyl-3H-pyridin-4-yl)methyl]-9H-fluoren-2-amine;dihydrochloride
SMILESCC1(C)C=C(CNc2ccc3c(c2)Cc2cc(Br)ccc2-3)CC(C)(C)N1O.Cl.Cl
InChIInChI=1S/C23H27BrN2O.2ClH/c1-22(2)12-15(13-23(3,4)26(22)27)14-25-19-6-8-21-17(11-19)9-16-10-18(24)5-7-20(16)21;;/h5-8,10-12,25,27H,9,13-14H2,1-4H3;2*1H
InChIKeyNJUGFAXSHZNLJJ-UHFFFAOYSA-N
XLogP6.85
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.31
LogP ≤ 56.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[(1-hydroxy-2,2,6,6-tetramethyl-3H-pyridin-4-yl)methyl]-9H-fluoren-2-amine;dihydrochloride?
The IUPAC name of 7-bromo-N-[(1-hydroxy-2,2,6,6-tetramethyl-3H-pyridin-4-yl)methyl]-9H-fluoren-2-amine;dihydrochloride (CID 54586839) is 7-bromo-N-[(1-hydroxy-2,2,6,6-tetramethyl-3H-pyridin-4-yl)methyl]-9H-fluoren-2-amine;dihydrochloride.
What is the SMILES notation for 7-bromo-N-[(1-hydroxy-2,2,6,6-tetramethyl-3H-pyridin-4-yl)methyl]-9H-fluoren-2-amine;dihydrochloride?
The canonical SMILES for 7-bromo-N-[(1-hydroxy-2,2,6,6-tetramethyl-3H-pyridin-4-yl)methyl]-9H-fluoren-2-amine;dihydrochloride is CC1(C)C=C(CNc2ccc3c(c2)Cc2cc(Br)ccc2-3)CC(C)(C)N1O.Cl.Cl.
What is the InChIKey of 7-bromo-N-[(1-hydroxy-2,2,6,6-tetramethyl-3H-pyridin-4-yl)methyl]-9H-fluoren-2-amine;dihydrochloride?
The InChIKey is NJUGFAXSHZNLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrN2O.2ClH/c1-22(2)12-15(13-23(3,4)26(22)27)14-25-19-6-8-21-17(11-19)9-16-10-18(24)5-7-20(16)21;;/h5-8,10-12,25,27H,9,13-14H2,1-4H3;2*1H.
What are the key properties of 7-bromo-N-[(1-hydroxy-2,2,6,6-tetramethyl-3H-pyridin-4-yl)methyl]-9H-fluoren-2-amine;dihydrochloride?
7-bromo-N-[(1-hydroxy-2,2,6,6-tetramethyl-3H-pyridin-4-yl)methyl]-9H-fluoren-2-amine;dihydrochloride has a molecular weight of 500.31 g/mol, XLogP of 6.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[(1-hydroxy-2,2,6,6-tetramethyl-3H-pyridin-4-yl)methyl]-9H-fluoren-2-amine;dihydrochloride is sourced from PubChem (CID 54586839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).