[4-fluoro-3-[(5-fluoroindol-1-yl)methyl]phenyl]methanamine

C16H14F2N2 — CID 63850276

IUPAC[4-fluoro-3-[(5-fluoroindol-1-yl)methyl]phenyl]methanamine
SMILESNCc1ccc(F)c(Cn2ccc3cc(F)ccc32)c1
InChIInChI=1S/C16H14F2N2/c17-14-2-4-16-12(8-14)5-6-20(16)10-13-7-11(9-19)1-3-15(13)18/h1-8H,9-10,19H2
InChIKeyGVEBRWGEJWYNFC-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.43
Rot. Bonds3

About [4-fluoro-3-[(5-fluoroindol-1-yl)methyl]phenyl]methanamine

[4-fluoro-3-[(5-fluoroindol-1-yl)methyl]phenyl]methanamine (PubChem CID 63850276) has the molecular formula C16H14F2N2 and a molecular weight of 272.30 g/mol. Its IUPAC name is [4-fluoro-3-[(5-fluoroindol-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-3-[(5-fluoroindol-1-yl)methyl]phenyl]methanamine
PubChem CID63850276
Molecular FormulaC16H14F2N2
Molecular Weight272.30 g/mol
Exact Mass272.11
IUPAC Name[4-fluoro-3-[(5-fluoroindol-1-yl)methyl]phenyl]methanamine
SMILESNCc1ccc(F)c(Cn2ccc3cc(F)ccc32)c1
InChIInChI=1S/C16H14F2N2/c17-14-2-4-16-12(8-14)5-6-20(16)10-13-7-11(9-19)1-3-15(13)18/h1-8H,9-10,19H2
InChIKeyGVEBRWGEJWYNFC-UHFFFAOYSA-N
XLogP3.43
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2,5-difluorophenyl)methyl]indol-5-yl]methanol
CID 102912443
[1-[(3-bromo-5-fluorophenyl)methyl]indol-5-yl]methanamine
CID 79709523
[4-fluoro-2-[(5-methylindol-1-yl)methyl]phenyl]methanamine
CID 64764833
[4-fluoro-3-[(4-methylindol-1-yl)methyl]phenyl]methanamine
CID 43342104
1-[(2-bromo-4-fluorophenyl)methyl]-5-fluoroindole
CID 63851490
1-[(2,5-difluorophenyl)methyl]-6-[1-[(2,5-difluorophenyl)methyl]indol-6-yl]indole
CID 56851726
3-[1-[(4-fluorophenyl)methyl]indol-5-yl]propan-1-amine
CID 170867983
5-fluoro-1-[(3-fluorophenyl)methyl]indole
CID 63852171
2-bromo-5-[(5-fluoroindol-1-yl)methyl]aniline
CID 115557370
5-bromo-2-[(5-fluoroindol-1-yl)methyl]aniline
CID 114380593
1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindole
CID 63852001
1-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroindole
CID 116619923

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-[(5-fluoroindol-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [4-fluoro-3-[(5-fluoroindol-1-yl)methyl]phenyl]methanamine (CID 63850276) is [4-fluoro-3-[(5-fluoroindol-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [4-fluoro-3-[(5-fluoroindol-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [4-fluoro-3-[(5-fluoroindol-1-yl)methyl]phenyl]methanamine is NCc1ccc(F)c(Cn2ccc3cc(F)ccc32)c1.
What is the InChIKey of [4-fluoro-3-[(5-fluoroindol-1-yl)methyl]phenyl]methanamine?
The InChIKey is GVEBRWGEJWYNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2/c17-14-2-4-16-12(8-14)5-6-20(16)10-13-7-11(9-19)1-3-15(13)18/h1-8H,9-10,19H2.
What are the key properties of [4-fluoro-3-[(5-fluoroindol-1-yl)methyl]phenyl]methanamine?
[4-fluoro-3-[(5-fluoroindol-1-yl)methyl]phenyl]methanamine has a molecular weight of 272.30 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-[(5-fluoroindol-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 63850276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).