3-(2,7-dibromo-9-hexylfluoren-9-yl)propan-1-amine

C22H27Br2N — CID 146448745

IUPAC3-(2,7-dibromo-9-hexylfluoren-9-yl)propan-1-amine
SMILESCCCCCCC1(CCCN)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C22H27Br2N/c1-2-3-4-5-11-22(12-6-13-25)20-14-16(23)7-9-18(20)19-10-8-17(24)15-21(19)22/h7-10,14-15H,2-6,11-13,25H2,1H3
InChIKeyFGAMDHWWTAAFRC-UHFFFAOYSA-N
MW465.27 g/mol
LogP7.19
Rot. Bonds8

About 3-(2,7-dibromo-9-hexylfluoren-9-yl)propan-1-amine

3-(2,7-dibromo-9-hexylfluoren-9-yl)propan-1-amine (PubChem CID 146448745) has the molecular formula C22H27Br2N and a molecular weight of 465.27 g/mol. Its IUPAC name is 3-(2,7-dibromo-9-hexylfluoren-9-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,7-dibromo-9-hexylfluoren-9-yl)propan-1-amine
PubChem CID146448745
Molecular FormulaC22H27Br2N
Molecular Weight465.27 g/mol
Exact Mass463.05
IUPAC Name3-(2,7-dibromo-9-hexylfluoren-9-yl)propan-1-amine
SMILESCCCCCCC1(CCCN)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C22H27Br2N/c1-2-3-4-5-11-22(12-6-13-25)20-14-16(23)7-9-18(20)19-10-8-17(24)15-21(19)22/h7-10,14-15H,2-6,11-13,25H2,1H3
InChIKeyFGAMDHWWTAAFRC-UHFFFAOYSA-N
XLogP7.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.27
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,7-dibromo-9-heptyl-9-hexylfluorene
CID 170123395
2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene
CID 58676153
2-bromo-7-[7-[7-(7-bromo-9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluorene
CID 101349913
2-bromo-9,9-dihexylfluorene
CID 18674600
2-bromo-9,9-dihexyl-7-iodofluorene
CID 18448199
CID 59561089
CID 59561089
2,7-dibromo-9,9-bis(6-bromohexyl)fluorene;ethane
CID 143104175
2,7-bis(4-bromo-2-methylphenyl)-9,9-dihexylfluorene
CID 155761603
6,15,24-tribromo-9,18,27-triethyl-9,18,27-trioctylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene
CID 148782423
2-N,2-N,7-N,7-N-tetrakis(4-bromophenyl)-9,9-dihexylfluorene-2,7-diamine
CID 134849382
2,7-dibromo-9,9-di(icosyl)indeno[2,1-b]siline
CID 150674535
2,7-dibromo-9,9-bis(8-bromooctyl)fluorene
CID 58274129

Frequently Asked Questions

What is the IUPAC name of 3-(2,7-dibromo-9-hexylfluoren-9-yl)propan-1-amine?
The IUPAC name of 3-(2,7-dibromo-9-hexylfluoren-9-yl)propan-1-amine (CID 146448745) is 3-(2,7-dibromo-9-hexylfluoren-9-yl)propan-1-amine.
What is the SMILES notation for 3-(2,7-dibromo-9-hexylfluoren-9-yl)propan-1-amine?
The canonical SMILES for 3-(2,7-dibromo-9-hexylfluoren-9-yl)propan-1-amine is CCCCCCC1(CCCN)c2cc(Br)ccc2-c2ccc(Br)cc21.
What is the InChIKey of 3-(2,7-dibromo-9-hexylfluoren-9-yl)propan-1-amine?
The InChIKey is FGAMDHWWTAAFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Br2N/c1-2-3-4-5-11-22(12-6-13-25)20-14-16(23)7-9-18(20)19-10-8-17(24)15-21(19)22/h7-10,14-15H,2-6,11-13,25H2,1H3.
What are the key properties of 3-(2,7-dibromo-9-hexylfluoren-9-yl)propan-1-amine?
3-(2,7-dibromo-9-hexylfluoren-9-yl)propan-1-amine has a molecular weight of 465.27 g/mol, XLogP of 7.19, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,7-dibromo-9-hexylfluoren-9-yl)propan-1-amine is sourced from PubChem (CID 146448745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).