3-[4-[1-(ethylamino)propyl]phenyl]benzonitrile

C18H20N2 — CID 61026220

IUPAC3-[4-[1-(ethylamino)propyl]phenyl]benzonitrile
SMILESCCNC(CC)c1ccc(-c2cccc(C#N)c2)cc1
InChIInChI=1S/C18H20N2/c1-3-18(20-4-2)16-10-8-15(9-11-16)17-7-5-6-14(12-17)13-19/h5-12,18,20H,3-4H2,1-2H3
InChIKeyXEBQUHYEYUGEPE-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.29
Rot. Bonds5

About 3-[4-[1-(ethylamino)propyl]phenyl]benzonitrile

3-[4-[1-(ethylamino)propyl]phenyl]benzonitrile (PubChem CID 61026220) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[4-[1-(ethylamino)propyl]phenyl]benzonitrile.

Molecular Properties

Compound Name3-[4-[1-(ethylamino)propyl]phenyl]benzonitrile
PubChem CID61026220
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name3-[4-[1-(ethylamino)propyl]phenyl]benzonitrile
SMILESCCNC(CC)c1ccc(-c2cccc(C#N)c2)cc1
InChIInChI=1S/C18H20N2/c1-3-18(20-4-2)16-10-8-15(9-11-16)17-7-5-6-14(12-17)13-19/h5-12,18,20H,3-4H2,1-2H3
InChIKeyXEBQUHYEYUGEPE-UHFFFAOYSA-N
XLogP4.29
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(ethylamino)propyl]phenyl]benzonitrile?
The IUPAC name of 3-[4-[1-(ethylamino)propyl]phenyl]benzonitrile (CID 61026220) is 3-[4-[1-(ethylamino)propyl]phenyl]benzonitrile.
What is the SMILES notation for 3-[4-[1-(ethylamino)propyl]phenyl]benzonitrile?
The canonical SMILES for 3-[4-[1-(ethylamino)propyl]phenyl]benzonitrile is CCNC(CC)c1ccc(-c2cccc(C#N)c2)cc1.
What is the InChIKey of 3-[4-[1-(ethylamino)propyl]phenyl]benzonitrile?
The InChIKey is XEBQUHYEYUGEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-3-18(20-4-2)16-10-8-15(9-11-16)17-7-5-6-14(12-17)13-19/h5-12,18,20H,3-4H2,1-2H3.
What are the key properties of 3-[4-[1-(ethylamino)propyl]phenyl]benzonitrile?
3-[4-[1-(ethylamino)propyl]phenyl]benzonitrile has a molecular weight of 264.37 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(ethylamino)propyl]phenyl]benzonitrile is sourced from PubChem (CID 61026220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).