7-bromo-N-methyl-N-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]-9H-fluoren-2-amine

C23H27BrN2 — CID 52915414

IUPAC7-bromo-N-methyl-N-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]-9H-fluoren-2-amine
SMILESCN(CC1=CC(C)(C)NC1(C)C)c1ccc2c(c1)Cc1cc(Br)ccc1-2
InChIInChI=1S/C23H27BrN2/c1-22(2)13-17(23(3,4)25-22)14-26(5)19-7-9-21-16(12-19)10-15-11-18(24)6-8-20(15)21/h6-9,11-13,25H,10,14H2,1-5H3
InChIKeyRNVXLCANIQYYNF-UHFFFAOYSA-N
MW411.39 g/mol
LogP5.54
Rot. Bonds3

About 7-bromo-N-methyl-N-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]-9H-fluoren-2-amine

7-bromo-N-methyl-N-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]-9H-fluoren-2-amine (PubChem CID 52915414) has the molecular formula C23H27BrN2 and a molecular weight of 411.39 g/mol. Its IUPAC name is 7-bromo-N-methyl-N-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]-9H-fluoren-2-amine.

Molecular Properties

Compound Name7-bromo-N-methyl-N-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]-9H-fluoren-2-amine
PubChem CID52915414
Molecular FormulaC23H27BrN2
Molecular Weight411.39 g/mol
Exact Mass410.14
IUPAC Name7-bromo-N-methyl-N-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]-9H-fluoren-2-amine
SMILESCN(CC1=CC(C)(C)NC1(C)C)c1ccc2c(c1)Cc1cc(Br)ccc1-2
InChIInChI=1S/C23H27BrN2/c1-22(2)13-17(23(3,4)25-22)14-26(5)19-7-9-21-16(12-19)10-15-11-18(24)6-8-20(15)21/h6-9,11-13,25H,10,14H2,1-5H3
InChIKeyRNVXLCANIQYYNF-UHFFFAOYSA-N
XLogP5.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.39
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 15458732
CID 15458732
CID 15458734
CID 15458734
CID 24858056
CID 24858056
CID 259920
CID 259920
CID 44325292
CID 44325292
CID 44325293
CID 44325293
CID 52915418
CID 52915418
CID 54586839
CID 54586839
CID 24797559
CID 24797559
CID 24797648
CID 24797648
CID 24797737
CID 24797737
CID 52915415
CID 52915415

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-methyl-N-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]-9H-fluoren-2-amine?
The IUPAC name of 7-bromo-N-methyl-N-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]-9H-fluoren-2-amine (CID 52915414) is 7-bromo-N-methyl-N-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]-9H-fluoren-2-amine.
What is the SMILES notation for 7-bromo-N-methyl-N-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]-9H-fluoren-2-amine?
The canonical SMILES for 7-bromo-N-methyl-N-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]-9H-fluoren-2-amine is CN(CC1=CC(C)(C)NC1(C)C)c1ccc2c(c1)Cc1cc(Br)ccc1-2.
What is the InChIKey of 7-bromo-N-methyl-N-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]-9H-fluoren-2-amine?
The InChIKey is RNVXLCANIQYYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrN2/c1-22(2)13-17(23(3,4)25-22)14-26(5)19-7-9-21-16(12-19)10-15-11-18(24)6-8-20(15)21/h6-9,11-13,25H,10,14H2,1-5H3.
What are the key properties of 7-bromo-N-methyl-N-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]-9H-fluoren-2-amine?
7-bromo-N-methyl-N-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]-9H-fluoren-2-amine has a molecular weight of 411.39 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-methyl-N-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]-9H-fluoren-2-amine is sourced from PubChem (CID 52915414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).