[1-[(3,4-difluorophenyl)methyl]indol-4-yl]methanamine

C16H14F2N2 — CID 82920553

IUPAC[1-[(3,4-difluorophenyl)methyl]indol-4-yl]methanamine
SMILESNCc1cccc2c1ccn2Cc1ccc(F)c(F)c1
InChIInChI=1S/C16H14F2N2/c17-14-5-4-11(8-15(14)18)10-20-7-6-13-12(9-19)2-1-3-16(13)20/h1-8H,9-10,19H2
InChIKeyOSZRTIHWUUQZNP-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.43
Rot. Bonds3

About [1-[(3,4-difluorophenyl)methyl]indol-4-yl]methanamine

[1-[(3,4-difluorophenyl)methyl]indol-4-yl]methanamine (PubChem CID 82920553) has the molecular formula C16H14F2N2 and a molecular weight of 272.30 g/mol. Its IUPAC name is [1-[(3,4-difluorophenyl)methyl]indol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(3,4-difluorophenyl)methyl]indol-4-yl]methanamine
PubChem CID82920553
Molecular FormulaC16H14F2N2
Molecular Weight272.30 g/mol
Exact Mass272.11
IUPAC Name[1-[(3,4-difluorophenyl)methyl]indol-4-yl]methanamine
SMILESNCc1cccc2c1ccn2Cc1ccc(F)c(F)c1
InChIInChI=1S/C16H14F2N2/c17-14-5-4-11(8-15(14)18)10-20-7-6-13-12(9-19)2-1-3-16(13)20/h1-8H,9-10,19H2
InChIKeyOSZRTIHWUUQZNP-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

2-[1-[(3,4-difluorophenyl)methyl]indol-4-yl]ethanamine
CID 82926195
4-bromo-1-[(3,4-difluorophenyl)methyl]indole
CID 116625944
[1-[(4-chloro-2-fluorophenyl)methyl]indol-4-yl]methanamine
CID 114851516
[1-[(3-bromo-2,6-difluorophenyl)methyl]indol-4-yl]methanamine
CID 106265006
1-[(3,4-difluorophenyl)methyl]-4-nitroindole
CID 115651045
[1-[(3,4-difluorophenyl)methyl]-2-methylpyrrol-3-yl]methanamine
CID 114195967
[1-[(4-fluoro-2-methylphenyl)methyl]indol-4-yl]methanamine
CID 114346645
[4-fluoro-3-[(4-methylindol-1-yl)methyl]phenyl]methanamine
CID 43342104
[1-[(2-fluoro-3-methoxyphenyl)methyl]indol-4-yl]methanamine
CID 104792943
1-[(4-chloro-3-fluorophenyl)methyl]-4-methylindole
CID 107887790
1-[(3,4-difluorophenyl)methyl]-4-methylsulfanylindol-6-amine
CID 82917028
1-[(3-chloro-4-fluorophenyl)methyl]indole-4-carbothioamide
CID 107919278

Frequently Asked Questions

What is the IUPAC name of [1-[(3,4-difluorophenyl)methyl]indol-4-yl]methanamine?
The IUPAC name of [1-[(3,4-difluorophenyl)methyl]indol-4-yl]methanamine (CID 82920553) is [1-[(3,4-difluorophenyl)methyl]indol-4-yl]methanamine.
What is the SMILES notation for [1-[(3,4-difluorophenyl)methyl]indol-4-yl]methanamine?
The canonical SMILES for [1-[(3,4-difluorophenyl)methyl]indol-4-yl]methanamine is NCc1cccc2c1ccn2Cc1ccc(F)c(F)c1.
What is the InChIKey of [1-[(3,4-difluorophenyl)methyl]indol-4-yl]methanamine?
The InChIKey is OSZRTIHWUUQZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2/c17-14-5-4-11(8-15(14)18)10-20-7-6-13-12(9-19)2-1-3-16(13)20/h1-8H,9-10,19H2.
What are the key properties of [1-[(3,4-difluorophenyl)methyl]indol-4-yl]methanamine?
[1-[(3,4-difluorophenyl)methyl]indol-4-yl]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 [1-[(3,4-difluorophenyl)methyl]indol-4-yl]methanamine is sourced from PubChem (CID 82920553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).