[1-[(3-bromo-5-fluorophenyl)methyl]indol-5-yl]methanamine

C16H14BrFN2 — CID 79709523

IUPAC[1-[(3-bromo-5-fluorophenyl)methyl]indol-5-yl]methanamine
SMILESNCc1ccc2c(ccn2Cc2cc(F)cc(Br)c2)c1
InChIInChI=1S/C16H14BrFN2/c17-14-6-12(7-15(18)8-14)10-20-4-3-13-5-11(9-19)1-2-16(13)20/h1-8H,9-10,19H2
InChIKeyYNCMDIYQXMRIHO-UHFFFAOYSA-N
MW333.20 g/mol
LogP4.05
Rot. Bonds3

About [1-[(3-bromo-5-fluorophenyl)methyl]indol-5-yl]methanamine

[1-[(3-bromo-5-fluorophenyl)methyl]indol-5-yl]methanamine (PubChem CID 79709523) has the molecular formula C16H14BrFN2 and a molecular weight of 333.20 g/mol. Its IUPAC name is [1-[(3-bromo-5-fluorophenyl)methyl]indol-5-yl]methanamine.

Molecular Properties

Compound Name[1-[(3-bromo-5-fluorophenyl)methyl]indol-5-yl]methanamine
PubChem CID79709523
Molecular FormulaC16H14BrFN2
Molecular Weight333.20 g/mol
Exact Mass332.03
IUPAC Name[1-[(3-bromo-5-fluorophenyl)methyl]indol-5-yl]methanamine
SMILESNCc1ccc2c(ccn2Cc2cc(F)cc(Br)c2)c1
InChIInChI=1S/C16H14BrFN2/c17-14-6-12(7-15(18)8-14)10-20-4-3-13-5-11(9-19)1-2-16(13)20/h1-8H,9-10,19H2
InChIKeyYNCMDIYQXMRIHO-UHFFFAOYSA-N
XLogP4.05
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.20
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-1-[(3,5-difluorophenyl)methyl]indole
CID 105409253
[4-fluoro-3-[(5-fluoroindol-1-yl)methyl]phenyl]methanamine
CID 63850276
2-bromo-5-[(5-fluoroindol-1-yl)methyl]aniline
CID 115557370
5-bromo-1-[(3-fluorophenyl)methyl]indole
CID 4284704
4-bromo-1-[(3-bromo-5-fluorophenyl)methyl]indole
CID 116625940
3-[1-[(4-fluorophenyl)methyl]indol-5-yl]propan-1-amine
CID 170867983
5-fluoro-1-[(3-fluorophenyl)methyl]indole
CID 63852171
5-bromo-1-[(3,4-difluorophenyl)methyl]indole
CID 116619662
[4-[[5-(trifluoromethyl)indol-1-yl]methyl]phenyl]methanamine
CID 83968569
1-[(3-amino-5-fluorophenyl)methyl]indole-5-carbonitrile
CID 107919689
5-bromo-2-[(5-fluoroindol-1-yl)methyl]aniline
CID 114380593
5-bromo-1-[(3-chloro-4-fluorophenyl)methyl]indole
CID 103041480

Frequently Asked Questions

What is the IUPAC name of [1-[(3-bromo-5-fluorophenyl)methyl]indol-5-yl]methanamine?
The IUPAC name of [1-[(3-bromo-5-fluorophenyl)methyl]indol-5-yl]methanamine (CID 79709523) is [1-[(3-bromo-5-fluorophenyl)methyl]indol-5-yl]methanamine.
What is the SMILES notation for [1-[(3-bromo-5-fluorophenyl)methyl]indol-5-yl]methanamine?
The canonical SMILES for [1-[(3-bromo-5-fluorophenyl)methyl]indol-5-yl]methanamine is NCc1ccc2c(ccn2Cc2cc(F)cc(Br)c2)c1.
What is the InChIKey of [1-[(3-bromo-5-fluorophenyl)methyl]indol-5-yl]methanamine?
The InChIKey is YNCMDIYQXMRIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2/c17-14-6-12(7-15(18)8-14)10-20-4-3-13-5-11(9-19)1-2-16(13)20/h1-8H,9-10,19H2.
What are the key properties of [1-[(3-bromo-5-fluorophenyl)methyl]indol-5-yl]methanamine?
[1-[(3-bromo-5-fluorophenyl)methyl]indol-5-yl]methanamine has a molecular weight of 333.20 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-bromo-5-fluorophenyl)methyl]indol-5-yl]methanamine is sourced from PubChem (CID 79709523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).