1-[(4-bromo-2-fluorophenyl)methyl]indol-6-amine

C15H12BrFN2 — CID 43438690

IUPAC1-[(4-bromo-2-fluorophenyl)methyl]indol-6-amine
SMILESNc1ccc2ccn(Cc3ccc(Br)cc3F)c2c1
InChIInChI=1S/C15H12BrFN2/c16-12-3-1-11(14(17)7-12)9-19-6-5-10-2-4-13(18)8-15(10)19/h1-8H,9,18H2
InChIKeyYWVKOENINSHPAU-UHFFFAOYSA-N
MW319.18 g/mol
LogP4.17
Rot. Bonds2

About 1-[(4-bromo-2-fluorophenyl)methyl]indol-6-amine

1-[(4-bromo-2-fluorophenyl)methyl]indol-6-amine (PubChem CID 43438690) has the molecular formula C15H12BrFN2 and a molecular weight of 319.18 g/mol. Its IUPAC name is 1-[(4-bromo-2-fluorophenyl)methyl]indol-6-amine.

Molecular Properties

Compound Name1-[(4-bromo-2-fluorophenyl)methyl]indol-6-amine
PubChem CID43438690
Molecular FormulaC15H12BrFN2
Molecular Weight319.18 g/mol
Exact Mass318.02
IUPAC Name1-[(4-bromo-2-fluorophenyl)methyl]indol-6-amine
SMILESNc1ccc2ccn(Cc3ccc(Br)cc3F)c2c1
InChIInChI=1S/C15H12BrFN2/c16-12-3-1-11(14(17)7-12)9-19-6-5-10-2-4-13(18)8-15(10)19/h1-8H,9,18H2
InChIKeyYWVKOENINSHPAU-UHFFFAOYSA-N
XLogP4.17
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.18
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-fluorophenyl)methyl]indol-6-amine
CID 43308904
1-[(4-bromo-2-fluorophenyl)methyl]-6-nitroindole
CID 116620983
4-[(6-bromoindol-1-yl)methyl]-3-fluorobenzamide
CID 116621806
1-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroindole
CID 116619923
6-chloro-1-[(4-chloro-2-fluorophenyl)methyl]indole
CID 114859541
1-[(2-chloro-4-methylphenyl)methyl]indol-6-amine
CID 106863378
5-bromo-2-[(5-fluoroindol-1-yl)methyl]aniline
CID 114380593
4-chloro-3-[(6-fluoroindol-1-yl)methyl]aniline
CID 43169100
4-[(5-bromoindol-1-yl)methyl]-3-fluorobenzonitrile
CID 116619751
1-benzylindol-6-amine
CID 69325204
6-bromo-1-[(2-chloro-4-methylphenyl)methyl]indole
CID 106869999
6-amino-3-[(4-bromo-2-fluorophenyl)methyl]quinazolin-4-one
CID 43447734

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]indol-6-amine?
The IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]indol-6-amine (CID 43438690) is 1-[(4-bromo-2-fluorophenyl)methyl]indol-6-amine.
What is the SMILES notation for 1-[(4-bromo-2-fluorophenyl)methyl]indol-6-amine?
The canonical SMILES for 1-[(4-bromo-2-fluorophenyl)methyl]indol-6-amine is Nc1ccc2ccn(Cc3ccc(Br)cc3F)c2c1.
What is the InChIKey of 1-[(4-bromo-2-fluorophenyl)methyl]indol-6-amine?
The InChIKey is YWVKOENINSHPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2/c16-12-3-1-11(14(17)7-12)9-19-6-5-10-2-4-13(18)8-15(10)19/h1-8H,9,18H2.
What are the key properties of 1-[(4-bromo-2-fluorophenyl)methyl]indol-6-amine?
1-[(4-bromo-2-fluorophenyl)methyl]indol-6-amine has a molecular weight of 319.18 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-fluorophenyl)methyl]indol-6-amine is sourced from PubChem (CID 43438690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).