3-[4-(methylamino)phenyl]propanenitrile

C10H12N2 — CID 131609769

IUPAC3-[4-(methylamino)phenyl]propanenitrile
SMILESCNc1ccc(CCC#N)cc1
InChIInChI=1S/C10H12N2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-7,12H,2-3H2,1H3
InChIKeyOOLSWSWPDPZYMP-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.18
Rot. Bonds3

About 3-[4-(methylamino)phenyl]propanenitrile

3-[4-(methylamino)phenyl]propanenitrile (PubChem CID 131609769) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-[4-(methylamino)phenyl]propanenitrile.

Molecular Properties

Compound Name3-[4-(methylamino)phenyl]propanenitrile
PubChem CID131609769
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name3-[4-(methylamino)phenyl]propanenitrile
SMILESCNc1ccc(CCC#N)cc1
InChIInChI=1S/C10H12N2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-7,12H,2-3H2,1H3
InChIKeyOOLSWSWPDPZYMP-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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Frequently Asked Questions

What is the IUPAC name of 3-[4-(methylamino)phenyl]propanenitrile?
The IUPAC name of 3-[4-(methylamino)phenyl]propanenitrile (CID 131609769) is 3-[4-(methylamino)phenyl]propanenitrile.
What is the SMILES notation for 3-[4-(methylamino)phenyl]propanenitrile?
The canonical SMILES for 3-[4-(methylamino)phenyl]propanenitrile is CNc1ccc(CCC#N)cc1.
What is the InChIKey of 3-[4-(methylamino)phenyl]propanenitrile?
The InChIKey is OOLSWSWPDPZYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-7,12H,2-3H2,1H3.
What are the key properties of 3-[4-(methylamino)phenyl]propanenitrile?
3-[4-(methylamino)phenyl]propanenitrile 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 3-[4-(methylamino)phenyl]propanenitrile is sourced from PubChem (CID 131609769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).