2-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile

C16H15FN2 — CID 107106323

IUPAC2-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile
SMILESCc1cccc(C#N)c1NCCc1ccccc1F
InChIInChI=1S/C16H15FN2/c1-12-5-4-7-14(11-18)16(12)19-10-9-13-6-2-3-8-15(13)17/h2-8,19H,9-10H2,1H3
InChIKeyBGKYIPGYORCDSP-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.66
Rot. Bonds4

About 2-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile

2-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile (PubChem CID 107106323) has the molecular formula C16H15FN2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile
PubChem CID107106323
Molecular FormulaC16H15FN2
Molecular Weight254.31 g/mol
Exact Mass254.12
IUPAC Name2-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile
SMILESCc1cccc(C#N)c1NCCc1ccccc1F
InChIInChI=1S/C16H15FN2/c1-12-5-4-7-14(11-18)16(12)19-10-9-13-6-2-3-8-15(13)17/h2-8,19H,9-10H2,1H3
InChIKeyBGKYIPGYORCDSP-UHFFFAOYSA-N
XLogP3.66
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3-dimethylbutylamino)-3-methylbenzonitrile
CID 107107286
2-[(2,6-dimethylanilino)methyl]benzonitrile
CID 60688762
4-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile
CID 54934414
2-[(4-cyano-2-fluorophenyl)methylamino]-3-methylbenzonitrile
CID 107106233
3-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile
CID 106417563
2-[2-(2-fluorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 32682078
2-[3-(ethylamino)propylamino]-3-methylbenzonitrile
CID 107111346
1-N-[2-(2-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine
CID 114041150
2-chloro-4-[2-(2-fluorophenyl)ethylamino]benzonitrile
CID 55133882
3-methyl-2-[2-(1,3-thiazol-4-yl)ethylamino]benzonitrile
CID 107106915
2-(hex-5-ynylamino)-3-methylbenzonitrile
CID 106213521
3-methyl-2-(2-propan-2-yloxyethylamino)benzonitrile
CID 107107221

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile?
The IUPAC name of 2-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile (CID 107106323) is 2-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile.
What is the SMILES notation for 2-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile?
The canonical SMILES for 2-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile is Cc1cccc(C#N)c1NCCc1ccccc1F.
What is the InChIKey of 2-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile?
The InChIKey is BGKYIPGYORCDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2/c1-12-5-4-7-14(11-18)16(12)19-10-9-13-6-2-3-8-15(13)17/h2-8,19H,9-10H2,1H3.
What are the key properties of 2-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile?
2-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile has a molecular weight of 254.31 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile is sourced from PubChem (CID 107106323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).