4-(2-bromo-9H-fluoren-1-yl)aniline

C19H14BrN — CID 175575602

IUPAC4-(2-bromo-9H-fluoren-1-yl)aniline
SMILESNc1ccc(-c2c(Br)ccc3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C19H14BrN/c20-18-10-9-16-15-4-2-1-3-13(15)11-17(16)19(18)12-5-7-14(21)8-6-12/h1-10H,11,21H2
InChIKeyXETODAFQEMJGTC-UHFFFAOYSA-N
MW336.23 g/mol
LogP5.27
Rot. Bonds1

About 4-(2-bromo-9H-fluoren-1-yl)aniline

4-(2-bromo-9H-fluoren-1-yl)aniline (PubChem CID 175575602) has the molecular formula C19H14BrN and a molecular weight of 336.23 g/mol. Its IUPAC name is 4-(2-bromo-9H-fluoren-1-yl)aniline.

Molecular Properties

Compound Name4-(2-bromo-9H-fluoren-1-yl)aniline
PubChem CID175575602
Molecular FormulaC19H14BrN
Molecular Weight336.23 g/mol
Exact Mass335.03
IUPAC Name4-(2-bromo-9H-fluoren-1-yl)aniline
SMILESNc1ccc(-c2c(Br)ccc3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C19H14BrN/c20-18-10-9-16-15-4-2-1-3-13(15)11-17(16)19(18)12-5-7-14(21)8-6-12/h1-10H,11,21H2
InChIKeyXETODAFQEMJGTC-UHFFFAOYSA-N
XLogP5.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.23
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline
CID 19793996
3-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline
CID 161432491
4-[4-(9H-fluoren-1-yl)phenoxy]aniline
CID 141303700
2-amino-3-[4-[1-[4-(2-amino-3-hydroxyphenyl)phenyl]-9H-fluoren-2-yl]phenyl]phenol
CID 141049173
3-[1-[3-[2-(3-aminophenyl)-9H-fluoren-1-yl]phenyl]-9H-fluoren-2-yl]aniline
CID 150438083
2-fluoro-1-phenyl-9H-fluorene
CID 151671400
1-bromo-2-iodo-9H-fluorene
CID 69464063
4-[1-(4-amino-3-chlorophenyl)-9H-fluoren-2-yl]-2-chloroaniline
CID 18519384
1,1'-biphenyl;4-[1-(4-hydroxyphenyl)-9H-fluoren-2-yl]phenol
CID 174876060
1,2-bis(4-ethylphenyl)-9H-fluorene
CID 151520467
3-[2-[4-[1-[4-[2-(3-aminophenoxy)phenyl]phenyl]-9H-fluoren-2-yl]phenyl]phenoxy]aniline
CID 158125426
4-[1-[4-amino-2-(trifluoromethyl)phenyl]-9H-fluoren-2-yl]-3-(trifluoromethyl)aniline
CID 141324145

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-9H-fluoren-1-yl)aniline?
The IUPAC name of 4-(2-bromo-9H-fluoren-1-yl)aniline (CID 175575602) is 4-(2-bromo-9H-fluoren-1-yl)aniline.
What is the SMILES notation for 4-(2-bromo-9H-fluoren-1-yl)aniline?
The canonical SMILES for 4-(2-bromo-9H-fluoren-1-yl)aniline is Nc1ccc(-c2c(Br)ccc3c2Cc2ccccc2-3)cc1.
What is the InChIKey of 4-(2-bromo-9H-fluoren-1-yl)aniline?
The InChIKey is XETODAFQEMJGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN/c20-18-10-9-16-15-4-2-1-3-13(15)11-17(16)19(18)12-5-7-14(21)8-6-12/h1-10H,11,21H2.
What are the key properties of 4-(2-bromo-9H-fluoren-1-yl)aniline?
4-(2-bromo-9H-fluoren-1-yl)aniline has a molecular weight of 336.23 g/mol, XLogP of 5.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-9H-fluoren-1-yl)aniline is sourced from PubChem (CID 175575602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).