2-[4-[(2-fluorophenyl)methylamino]phenyl]acetonitrile

C15H13FN2 — CID 43231833

IUPAC2-[4-[(2-fluorophenyl)methylamino]phenyl]acetonitrile
SMILESN#CCc1ccc(NCc2ccccc2F)cc1
InChIInChI=1S/C15H13FN2/c16-15-4-2-1-3-13(15)11-18-14-7-5-12(6-8-14)9-10-17/h1-8,18H,9,11H2
InChIKeyPPTMJUFJNVULNW-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.50
Rot. Bonds4

About 2-[4-[(2-fluorophenyl)methylamino]phenyl]acetonitrile

2-[4-[(2-fluorophenyl)methylamino]phenyl]acetonitrile (PubChem CID 43231833) has the molecular formula C15H13FN2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[4-[(2-fluorophenyl)methylamino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[(2-fluorophenyl)methylamino]phenyl]acetonitrile
PubChem CID43231833
Molecular FormulaC15H13FN2
Molecular Weight240.28 g/mol
Exact Mass240.11
IUPAC Name2-[4-[(2-fluorophenyl)methylamino]phenyl]acetonitrile
SMILESN#CCc1ccc(NCc2ccccc2F)cc1
InChIInChI=1S/C15H13FN2/c16-15-4-2-1-3-13(15)11-18-14-7-5-12(6-8-14)9-10-17/h1-8,18H,9,11H2
InChIKeyPPTMJUFJNVULNW-UHFFFAOYSA-N
XLogP3.50
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(5-bromo-2-fluorophenyl)methylamino]phenyl]acetonitrile
CID 43722164
4-[[4-(cyanomethyl)anilino]methyl]-3-fluorobenzonitrile
CID 60716258
2-[4-[(2-methoxyphenyl)methylamino]phenyl]acetonitrile
CID 43231857
2-[4-(1H-indol-3-ylmethylamino)phenyl]acetonitrile
CID 60681635
2-[4-(1-benzothiophen-3-ylmethylamino)phenyl]acetonitrile
CID 60981341
N-[(2-fluorophenyl)methyl]-4-propan-2-ylaniline
CID 28551331
2-[4-[(2,6-dichlorophenyl)methylamino]phenyl]acetonitrile
CID 43231843
2-[4-(2,3-dihydro-1H-indol-7-ylmethylamino)phenyl]acetonitrile
CID 80650196
2-[4-(quinolin-2-ylmethylamino)phenyl]acetonitrile
CID 60673249
2-bromo-4-[(2-fluorophenyl)methylamino]benzonitrile
CID 107275835
2-[4-[(4-chloro-2-methylphenyl)methylamino]phenyl]acetonitrile
CID 104854012
2-[4-(cyanomethylamino)phenyl]acetonitrile
CID 60720877

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-fluorophenyl)methylamino]phenyl]acetonitrile?
The IUPAC name of 2-[4-[(2-fluorophenyl)methylamino]phenyl]acetonitrile (CID 43231833) is 2-[4-[(2-fluorophenyl)methylamino]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[(2-fluorophenyl)methylamino]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[(2-fluorophenyl)methylamino]phenyl]acetonitrile is N#CCc1ccc(NCc2ccccc2F)cc1.
What is the InChIKey of 2-[4-[(2-fluorophenyl)methylamino]phenyl]acetonitrile?
The InChIKey is PPTMJUFJNVULNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2/c16-15-4-2-1-3-13(15)11-18-14-7-5-12(6-8-14)9-10-17/h1-8,18H,9,11H2.
What are the key properties of 2-[4-[(2-fluorophenyl)methylamino]phenyl]acetonitrile?
2-[4-[(2-fluorophenyl)methylamino]phenyl]acetonitrile has a molecular weight of 240.28 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-fluorophenyl)methylamino]phenyl]acetonitrile is sourced from PubChem (CID 43231833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).