2-[ethyl-[(3-fluorophenyl)methyl]amino]acetonitrile

C11H13FN2 — CID 60677065

IUPAC2-[ethyl-[(3-fluorophenyl)methyl]amino]acetonitrile
SMILESCCN(CC#N)Cc1cccc(F)c1
InChIInChI=1S/C11H13FN2/c1-2-14(7-6-13)9-10-4-3-5-11(12)8-10/h3-5,8H,2,7,9H2,1H3
InChIKeyAYLWWCZKQPCTKK-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.17
Rot. Bonds4

About 2-[ethyl-[(3-fluorophenyl)methyl]amino]acetonitrile

2-[ethyl-[(3-fluorophenyl)methyl]amino]acetonitrile (PubChem CID 60677065) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-[ethyl-[(3-fluorophenyl)methyl]amino]acetonitrile.

Molecular Properties

Compound Name2-[ethyl-[(3-fluorophenyl)methyl]amino]acetonitrile
PubChem CID60677065
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name2-[ethyl-[(3-fluorophenyl)methyl]amino]acetonitrile
SMILESCCN(CC#N)Cc1cccc(F)c1
InChIInChI=1S/C11H13FN2/c1-2-14(7-6-13)9-10-4-3-5-11(12)8-10/h3-5,8H,2,7,9H2,1H3
InChIKeyAYLWWCZKQPCTKK-UHFFFAOYSA-N
XLogP2.17
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]benzonitrile
CID 51110440
2-[[cyanomethyl(ethyl)amino]methyl]-4-fluorobenzonitrile
CID 103760707
N-(2-chloroethyl)-N-[(3-fluorophenyl)methyl]propan-1-amine
CID 63386534
2-[(3,4-dichlorophenyl)methyl-ethylamino]acetonitrile
CID 61035372
N'-[(3-fluorophenyl)methyl]-N'-propylethane-1,2-diamine
CID 61350683
3-(diethylaminomethyl)-N-[(3-fluorophenyl)methyl]aniline
CID 43727006
2-[propyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetonitrile
CID 61224322
N-(2-cyanopropyl)-N-ethyl-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
CID 87014013
2-[3-[[benzyl(ethyl)amino]methyl]phenyl]acetonitrile
CID 82135629
2-[(2-chloro-3-fluorophenyl)methyl-ethylamino]acetonitrile
CID 112550244
1-(bromomethyl)-3-fluorobenzene;ethane
CID 90998374
2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile
CID 9318110

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(3-fluorophenyl)methyl]amino]acetonitrile?
The IUPAC name of 2-[ethyl-[(3-fluorophenyl)methyl]amino]acetonitrile (CID 60677065) is 2-[ethyl-[(3-fluorophenyl)methyl]amino]acetonitrile.
What is the SMILES notation for 2-[ethyl-[(3-fluorophenyl)methyl]amino]acetonitrile?
The canonical SMILES for 2-[ethyl-[(3-fluorophenyl)methyl]amino]acetonitrile is CCN(CC#N)Cc1cccc(F)c1.
What is the InChIKey of 2-[ethyl-[(3-fluorophenyl)methyl]amino]acetonitrile?
The InChIKey is AYLWWCZKQPCTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-2-14(7-6-13)9-10-4-3-5-11(12)8-10/h3-5,8H,2,7,9H2,1H3.
What are the key properties of 2-[ethyl-[(3-fluorophenyl)methyl]amino]acetonitrile?
2-[ethyl-[(3-fluorophenyl)methyl]amino]acetonitrile has a molecular weight of 192.24 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(3-fluorophenyl)methyl]amino]acetonitrile is sourced from PubChem (CID 60677065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).