[1-[(3,5-difluorophenyl)methyl]indol-7-yl]methanamine

C16H14F2N2 — CID 105409601

IUPAC[1-[(3,5-difluorophenyl)methyl]indol-7-yl]methanamine
SMILESNCc1cccc2ccn(Cc3cc(F)cc(F)c3)c12
InChIInChI=1S/C16H14F2N2/c17-14-6-11(7-15(18)8-14)10-20-5-4-12-2-1-3-13(9-19)16(12)20/h1-8H,9-10,19H2
InChIKeyPPIOWNRNGAXXFK-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.43
Rot. Bonds3

About [1-[(3,5-difluorophenyl)methyl]indol-7-yl]methanamine

[1-[(3,5-difluorophenyl)methyl]indol-7-yl]methanamine (PubChem CID 105409601) has the molecular formula C16H14F2N2 and a molecular weight of 272.30 g/mol. Its IUPAC name is [1-[(3,5-difluorophenyl)methyl]indol-7-yl]methanamine.

Molecular Properties

Compound Name[1-[(3,5-difluorophenyl)methyl]indol-7-yl]methanamine
PubChem CID105409601
Molecular FormulaC16H14F2N2
Molecular Weight272.30 g/mol
Exact Mass272.11
IUPAC Name[1-[(3,5-difluorophenyl)methyl]indol-7-yl]methanamine
SMILESNCc1cccc2ccn(Cc3cc(F)cc(F)c3)c12
InChIInChI=1S/C16H14F2N2/c17-14-6-11(7-15(18)8-14)10-20-5-4-12-2-1-3-13(9-19)16(12)20/h1-8H,9-10,19H2
InChIKeyPPIOWNRNGAXXFK-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-[(4-fluoro-2-methylphenyl)methyl]indol-7-yl]methanamine
CID 114349349
[1-[(3-chloro-2-fluorophenyl)methyl]indol-7-yl]methanamine
CID 102861922
[1-[(2-chloro-3-fluorophenyl)methyl]indol-7-yl]methanamine
CID 115984379
4-[[7-(aminomethyl)indol-1-yl]methyl]benzonitrile
CID 102913605
[1-(3,3,3-trifluoropropyl)indol-7-yl]methanamine
CID 102913583
[1-[(2-methoxy-3-pyridinyl)methyl]indol-7-yl]methanamine
CID 102913706
2-[1-[(2-chloro-5-fluorophenyl)methyl]indol-7-yl]ethanamine
CID 102917161
2-(1-benzylindol-7-yl)acetic acid
CID 115107342
[1-(4-methylpentyl)indol-7-yl]methanamine
CID 83169213
4-[7-(aminomethyl)indol-1-yl]-2-methylbutan-2-ol
CID 102913373
[1-[(3-fluorophenyl)methyl]-7-methylindol-6-yl]methanol
CID 90133030
[1-[2-(1-methylpyrazol-4-yl)ethyl]indol-7-yl]methanamine
CID 103005659

Frequently Asked Questions

What is the IUPAC name of [1-[(3,5-difluorophenyl)methyl]indol-7-yl]methanamine?
The IUPAC name of [1-[(3,5-difluorophenyl)methyl]indol-7-yl]methanamine (CID 105409601) is [1-[(3,5-difluorophenyl)methyl]indol-7-yl]methanamine.
What is the SMILES notation for [1-[(3,5-difluorophenyl)methyl]indol-7-yl]methanamine?
The canonical SMILES for [1-[(3,5-difluorophenyl)methyl]indol-7-yl]methanamine is NCc1cccc2ccn(Cc3cc(F)cc(F)c3)c12.
What is the InChIKey of [1-[(3,5-difluorophenyl)methyl]indol-7-yl]methanamine?
The InChIKey is PPIOWNRNGAXXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2/c17-14-6-11(7-15(18)8-14)10-20-5-4-12-2-1-3-13(9-19)16(12)20/h1-8H,9-10,19H2.
What are the key properties of [1-[(3,5-difluorophenyl)methyl]indol-7-yl]methanamine?
[1-[(3,5-difluorophenyl)methyl]indol-7-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-[(3,5-difluorophenyl)methyl]indol-7-yl]methanamine is sourced from PubChem (CID 105409601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).