(2R)-2-amino-2-(4-aminophenyl)acetonitrile

C8H9N3 — CID 126961304

IUPAC(2R)-2-amino-2-(4-aminophenyl)acetonitrile
SMILESN#C[C@H](N)c1ccc(N)cc1
InChIInChI=1S/C8H9N3/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8H,10-11H2/t8-/m0/s1
InChIKeyLVINSCLYYILXLU-QMMMGPOBSA-N
MW147.18 g/mol
LogP0.79
Rot. Bonds1

About (2R)-2-amino-2-(4-aminophenyl)acetonitrile

(2R)-2-amino-2-(4-aminophenyl)acetonitrile (PubChem CID 126961304) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is (2R)-2-amino-2-(4-aminophenyl)acetonitrile.

Molecular Properties

Compound Name(2R)-2-amino-2-(4-aminophenyl)acetonitrile
PubChem CID126961304
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name(2R)-2-amino-2-(4-aminophenyl)acetonitrile
SMILESN#C[C@H](N)c1ccc(N)cc1
InChIInChI=1S/C8H9N3/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8H,10-11H2/t8-/m0/s1
InChIKeyLVINSCLYYILXLU-QMMMGPOBSA-N
XLogP0.79
TPSA75.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[4-[amino(cyano)methyl]phenyl]phenyl]propanedinitrile
CID 155326080
(2R)-2-amino-2-[4-(trifluoromethyl)phenyl]acetonitrile
CID 30076959
2-amino-2-(4-propylphenyl)acetonitrile
CID 90203158
(2R)-2-amino-2-(4-nitrophenyl)acetonitrile
CID 130739623
(2S)-2-amino-2-[4-(2-methylpropyl)phenyl]acetonitrile
CID 130806036
(2R)-2-amino-2-[4-(2-methylpropyl)phenyl]acetonitrile
CID 130986917
(2S)-2-amino-2-(3,4-dichlorophenyl)acetonitrile
CID 30082279
(2R)-2-amino-2-(3,4-dichlorophenyl)acetonitrile
CID 30082276
[4-[amino(cyano)methyl]phenyl] acetate
CID 45091437
(2S)-2-amino-2-(4-chloro-3-methylphenyl)acetonitrile
CID 130685286
(2S)-2-amino-2-(4-bromo-3-chlorophenyl)acetonitrile
CID 131057211
2-amino-2-(3-bromo-4-fluorophenyl)acetonitrile
CID 16787208

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(4-aminophenyl)acetonitrile?
The IUPAC name of (2R)-2-amino-2-(4-aminophenyl)acetonitrile (CID 126961304) is (2R)-2-amino-2-(4-aminophenyl)acetonitrile.
What is the SMILES notation for (2R)-2-amino-2-(4-aminophenyl)acetonitrile?
The canonical SMILES for (2R)-2-amino-2-(4-aminophenyl)acetonitrile is N#C[C@H](N)c1ccc(N)cc1.
What is the InChIKey of (2R)-2-amino-2-(4-aminophenyl)acetonitrile?
The InChIKey is LVINSCLYYILXLU-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H9N3/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8H,10-11H2/t8-/m0/s1.
What are the key properties of (2R)-2-amino-2-(4-aminophenyl)acetonitrile?
(2R)-2-amino-2-(4-aminophenyl)acetonitrile has a molecular weight of 147.18 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(4-aminophenyl)acetonitrile is sourced from PubChem (CID 126961304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).