3-[(2R)-2-aminopropyl]benzonitrile

C10H12N2 — CID 130739273

IUPAC3-[(2R)-2-aminopropyl]benzonitrile
SMILESC[C@@H](N)Cc1cccc(C#N)c1
InChIInChI=1S/C10H12N2/c1-8(12)5-9-3-2-4-10(6-9)7-11/h2-4,6,8H,5,12H2,1H3/t8-/m1/s1
InChIKeyDLAICHCEMPCHOX-MRVPVSSYSA-N
MW160.22 g/mol
LogP1.45
Rot. Bonds2

About 3-[(2R)-2-aminopropyl]benzonitrile

3-[(2R)-2-aminopropyl]benzonitrile (PubChem CID 130739273) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-[(2R)-2-aminopropyl]benzonitrile.

Molecular Properties

Compound Name3-[(2R)-2-aminopropyl]benzonitrile
PubChem CID130739273
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name3-[(2R)-2-aminopropyl]benzonitrile
SMILESC[C@@H](N)Cc1cccc(C#N)c1
InChIInChI=1S/C10H12N2/c1-8(12)5-9-3-2-4-10(6-9)7-11/h2-4,6,8H,5,12H2,1H3/t8-/m1/s1
InChIKeyDLAICHCEMPCHOX-MRVPVSSYSA-N
XLogP1.45
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylpropyl)benzonitrile
CID 19024755
3-(2-fluoropropyl)benzonitrile
CID 117276196
3-(2-methylbutyl)benzonitrile
CID 56618618
3-[[2-(2-aminopropyl)phenoxy]methyl]benzonitrile
CID 60908416
3-(3-aminobutylsulfanylmethyl)benzonitrile
CID 66233503
ethyl (2R)-2-amino-3-(3-cyanophenyl)propanoate
CID 70081034
3-[[2-(2-aminopropyl)-3-chlorophenoxy]methyl]benzonitrile
CID 114321709
3-[amino(dideuterio)methyl]benzonitrile
CID 175940436
4-[[3-(2-aminopropyl)phenoxy]methyl]-3-methylbenzonitrile
CID 114485078
3-(2-methyl-3-oxohexyl)benzonitrile
CID 54500073
3-(3-amino-2-phenylpropyl)benzonitrile
CID 82140960
3-(1-aminopropan-2-yloxymethyl)benzonitrile
CID 82352748

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-aminopropyl]benzonitrile?
The IUPAC name of 3-[(2R)-2-aminopropyl]benzonitrile (CID 130739273) is 3-[(2R)-2-aminopropyl]benzonitrile.
What is the SMILES notation for 3-[(2R)-2-aminopropyl]benzonitrile?
The canonical SMILES for 3-[(2R)-2-aminopropyl]benzonitrile is C[C@@H](N)Cc1cccc(C#N)c1.
What is the InChIKey of 3-[(2R)-2-aminopropyl]benzonitrile?
The InChIKey is DLAICHCEMPCHOX-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12N2/c1-8(12)5-9-3-2-4-10(6-9)7-11/h2-4,6,8H,5,12H2,1H3/t8-/m1/s1.
What are the key properties of 3-[(2R)-2-aminopropyl]benzonitrile?
3-[(2R)-2-aminopropyl]benzonitrile has a molecular weight of 160.22 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-aminopropyl]benzonitrile is sourced from PubChem (CID 130739273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).