2-[4-(ethylamino)phenyl]acetonitrile

C10H12N2 — CID 43229025

IUPAC2-[4-(ethylamino)phenyl]acetonitrile
SMILESCCNc1ccc(CC#N)cc1
InChIInChI=1S/C10H12N2/c1-2-12-10-5-3-9(4-6-10)7-8-11/h3-6,12H,2,7H2,1H3
InChIKeyCGIBPQZDQWCVOK-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.18
Rot. Bonds3

About 2-[4-(ethylamino)phenyl]acetonitrile

2-[4-(ethylamino)phenyl]acetonitrile (PubChem CID 43229025) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-[4-(ethylamino)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(ethylamino)phenyl]acetonitrile
PubChem CID43229025
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name2-[4-(ethylamino)phenyl]acetonitrile
SMILESCCNc1ccc(CC#N)cc1
InChIInChI=1S/C10H12N2/c1-2-12-10-5-3-9(4-6-10)7-8-11/h3-6,12H,2,7H2,1H3
InChIKeyCGIBPQZDQWCVOK-UHFFFAOYSA-N
XLogP2.18
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(cyanomethylamino)phenyl]acetonitrile
CID 60720877
2-[4-(nonylamino)phenyl]acetonitrile
CID 63491741
2-[4-[4-(cyanomethyl)anilino]phenyl]acetonitrile
CID 170886404
N-[4-(cyanomethyl)phenyl]-5-(ethylamino)pyridine-2-carboxamide
CID 104641096
N,4-diethylaniline
CID 6429431
2-[4-(3-ethylsulfonylpropylamino)phenyl]acetonitrile
CID 65093265
2-[4-[2-[(2-methylpropan-2-yl)oxy]ethylamino]phenyl]acetonitrile
CID 112589020
2-[4-(ethylsulfamoylamino)phenyl]acetonitrile
CID 114807814
N-[4-(cyanomethyl)phenyl]ethanesulfonamide
CID 3668419
ethane;2-(4-ethylphenyl)acetonitrile
CID 143828452
N-[4-(cyanomethyl)phenyl]-2-(ethylamino)-2-methylpropanamide
CID 62832358
2-[4-(cyanomethyl)anilino]butanenitrile
CID 62303541

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylamino)phenyl]acetonitrile?
The IUPAC name of 2-[4-(ethylamino)phenyl]acetonitrile (CID 43229025) is 2-[4-(ethylamino)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-(ethylamino)phenyl]acetonitrile?
The canonical SMILES for 2-[4-(ethylamino)phenyl]acetonitrile is CCNc1ccc(CC#N)cc1.
What is the InChIKey of 2-[4-(ethylamino)phenyl]acetonitrile?
The InChIKey is CGIBPQZDQWCVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-12-10-5-3-9(4-6-10)7-8-11/h3-6,12H,2,7H2,1H3.
What are the key properties of 2-[4-(ethylamino)phenyl]acetonitrile?
2-[4-(ethylamino)phenyl]acetonitrile has a molecular weight of 160.22 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylamino)phenyl]acetonitrile is sourced from PubChem (CID 43229025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).