4-[(2R)-1-aminopropan-2-yl]benzonitrile

C10H12N2 — CID 139426388

IUPAC4-[(2R)-1-aminopropan-2-yl]benzonitrile
SMILESC[C@@H](CN)c1ccc(C#N)cc1
InChIInChI=1S/C10H12N2/c1-8(6-11)10-4-2-9(7-12)3-5-10/h2-5,8H,6,11H2,1H3/t8-/m0/s1
InChIKeyZUJWUWOIJQZIKK-QMMMGPOBSA-N
MW160.22 g/mol
LogP1.62
Rot. Bonds2

About 4-[(2R)-1-aminopropan-2-yl]benzonitrile

4-[(2R)-1-aminopropan-2-yl]benzonitrile (PubChem CID 139426388) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 4-[(2R)-1-aminopropan-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[(2R)-1-aminopropan-2-yl]benzonitrile
PubChem CID139426388
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name4-[(2R)-1-aminopropan-2-yl]benzonitrile
SMILESC[C@@H](CN)c1ccc(C#N)cc1
InChIInChI=1S/C10H12N2/c1-8(6-11)10-4-2-9(7-12)3-5-10/h2-5,8H,6,11H2,1H3/t8-/m0/s1
InChIKeyZUJWUWOIJQZIKK-QMMMGPOBSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-(1-aminoethyl)benzonitrile
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4-(5-oxopentan-2-yl)benzonitrile
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4-[(2R)-3-methylbutan-2-yl]benzonitrile
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CID 83927493
(2S)-3-amino-2-(4-cyanophenyl)propanoic acid
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4-[1-(4-cyanophenyl)propyl]benzonitrile
CID 143564661
(2R)-2-(4-fluorophenyl)propan-1-amine;hydrochloride
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4-[(1R)-1-(4-methylphenyl)ethyl]benzonitrile
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4-(1-aminopropan-2-yl)-N,N-dimethylaniline
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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-aminopropan-2-yl]benzonitrile?
The IUPAC name of 4-[(2R)-1-aminopropan-2-yl]benzonitrile (CID 139426388) is 4-[(2R)-1-aminopropan-2-yl]benzonitrile.
What is the SMILES notation for 4-[(2R)-1-aminopropan-2-yl]benzonitrile?
The canonical SMILES for 4-[(2R)-1-aminopropan-2-yl]benzonitrile is C[C@@H](CN)c1ccc(C#N)cc1.
What is the InChIKey of 4-[(2R)-1-aminopropan-2-yl]benzonitrile?
The InChIKey is ZUJWUWOIJQZIKK-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12N2/c1-8(6-11)10-4-2-9(7-12)3-5-10/h2-5,8H,6,11H2,1H3/t8-/m0/s1.
What are the key properties of 4-[(2R)-1-aminopropan-2-yl]benzonitrile?
4-[(2R)-1-aminopropan-2-yl]benzonitrile has a molecular weight of 160.22 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-aminopropan-2-yl]benzonitrile is sourced from PubChem (CID 139426388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).