2-[ethyl(2-phenylethyl)amino]acetonitrile

C12H16N2 — CID 60970456

IUPAC2-[ethyl(2-phenylethyl)amino]acetonitrile
SMILESCCN(CC#N)CCc1ccccc1
InChIInChI=1S/C12H16N2/c1-2-14(11-9-13)10-8-12-6-4-3-5-7-12/h3-7H,2,8,10-11H2,1H3
InChIKeyLQRIZDOTQKQIKV-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.07
Rot. Bonds5

About 2-[ethyl(2-phenylethyl)amino]acetonitrile

2-[ethyl(2-phenylethyl)amino]acetonitrile (PubChem CID 60970456) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-[ethyl(2-phenylethyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[ethyl(2-phenylethyl)amino]acetonitrile
PubChem CID60970456
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-[ethyl(2-phenylethyl)amino]acetonitrile
SMILESCCN(CC#N)CCc1ccccc1
InChIInChI=1S/C12H16N2/c1-2-14(11-9-13)10-8-12-6-4-3-5-7-12/h3-7H,2,8,10-11H2,1H3
InChIKeyLQRIZDOTQKQIKV-UHFFFAOYSA-N
XLogP2.07
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-phenylethyl)amino]acetonitrile?
The IUPAC name of 2-[ethyl(2-phenylethyl)amino]acetonitrile (CID 60970456) is 2-[ethyl(2-phenylethyl)amino]acetonitrile.
What is the SMILES notation for 2-[ethyl(2-phenylethyl)amino]acetonitrile?
The canonical SMILES for 2-[ethyl(2-phenylethyl)amino]acetonitrile is CCN(CC#N)CCc1ccccc1.
What is the InChIKey of 2-[ethyl(2-phenylethyl)amino]acetonitrile?
The InChIKey is LQRIZDOTQKQIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-2-14(11-9-13)10-8-12-6-4-3-5-7-12/h3-7H,2,8,10-11H2,1H3.
What are the key properties of 2-[ethyl(2-phenylethyl)amino]acetonitrile?
2-[ethyl(2-phenylethyl)amino]acetonitrile has a molecular weight of 188.27 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-phenylethyl)amino]acetonitrile is sourced from PubChem (CID 60970456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).