2-(2,3-dihydro-1H-inden-5-ylmethylamino)-5-fluorobenzonitrile

C17H15FN2 — CID 79034163

IUPAC2-(2,3-dihydro-1H-inden-5-ylmethylamino)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1NCc1ccc2c(c1)CCC2
InChIInChI=1S/C17H15FN2/c18-16-6-7-17(15(9-16)10-19)20-11-12-4-5-13-2-1-3-14(13)8-12/h4-9,20H,1-3,11H2
InChIKeyQAMOGFIMZKSMQB-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.80
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-5-fluorobenzonitrile

2-(2,3-dihydro-1H-inden-5-ylmethylamino)-5-fluorobenzonitrile (PubChem CID 79034163) has the molecular formula C17H15FN2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylmethylamino)-5-fluorobenzonitrile
PubChem CID79034163
Molecular FormulaC17H15FN2
Molecular Weight266.32 g/mol
Exact Mass266.12
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylmethylamino)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1NCc1ccc2c(c1)CCC2
InChIInChI=1S/C17H15FN2/c18-16-6-7-17(15(9-16)10-19)20-11-12-4-5-13-2-1-3-14(13)8-12/h4-9,20H,1-3,11H2
InChIKeyQAMOGFIMZKSMQB-UHFFFAOYSA-N
XLogP3.80
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chloro-3-fluorophenyl)methylamino]-5-fluorobenzonitrile
CID 82012960
5-fluoro-2-[(3-fluoro-4-hydroxyphenyl)methylamino]benzonitrile
CID 103703300
5-fluoro-2-[(3,4,5-trifluorophenyl)methylamino]benzonitrile
CID 82014691
2-[[4-(2-aminoethyl)phenyl]methylamino]-5-fluorobenzonitrile
CID 63674991
2-[(3-aminophenyl)methylamino]-5-fluorobenzonitrile
CID 63674317
[4-[(2-cyano-4-fluoroanilino)methyl]phenyl]methanesulfonamide
CID 75374034
2-[(3-bromo-4-methoxyphenyl)methylamino]-5-fluorobenzonitrile
CID 79034247
2-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methylamino]-5-fluorobenzonitrile
CID 133411353
4-fluoro-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)aniline
CID 82132113
2-chloro-4-(2,3-dihydro-1H-inden-5-ylmethylamino)benzonitrile
CID 63939427
5-fluoro-2-[(2-hydroxyphenyl)methylamino]benzonitrile
CID 82015763
5-bromo-2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzonitrile
CID 105357850

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-5-fluorobenzonitrile?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-5-fluorobenzonitrile (CID 79034163) is 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-5-fluorobenzonitrile.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-5-fluorobenzonitrile?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-5-fluorobenzonitrile is N#Cc1cc(F)ccc1NCc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-5-fluorobenzonitrile?
The InChIKey is QAMOGFIMZKSMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2/c18-16-6-7-17(15(9-16)10-19)20-11-12-4-5-13-2-1-3-14(13)8-12/h4-9,20H,1-3,11H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-5-fluorobenzonitrile?
2-(2,3-dihydro-1H-inden-5-ylmethylamino)-5-fluorobenzonitrile has a molecular weight of 266.32 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-5-fluorobenzonitrile is sourced from PubChem (CID 79034163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).