(4R)-4-amino-4-(3,4-dichlorophenyl)butanenitrile

C10H10Cl2N2 — CID 86705554

IUPAC(4R)-4-amino-4-(3,4-dichlorophenyl)butanenitrile
SMILESN#CCC[C@@H](N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H10Cl2N2/c11-8-4-3-7(6-9(8)12)10(14)2-1-5-13/h3-4,6,10H,1-2,14H2/t10-/m1/s1
InChIKeyNJOXFZBEKLRZJC-SNVBAGLBSA-N
MW229.11 g/mol
LogP3.30
Rot. Bonds3

About (4R)-4-amino-4-(3,4-dichlorophenyl)butanenitrile

(4R)-4-amino-4-(3,4-dichlorophenyl)butanenitrile (PubChem CID 86705554) has the molecular formula C10H10Cl2N2 and a molecular weight of 229.11 g/mol. Its IUPAC name is (4R)-4-amino-4-(3,4-dichlorophenyl)butanenitrile.

Molecular Properties

Compound Name(4R)-4-amino-4-(3,4-dichlorophenyl)butanenitrile
PubChem CID86705554
Molecular FormulaC10H10Cl2N2
Molecular Weight229.11 g/mol
Exact Mass228.02
IUPAC Name(4R)-4-amino-4-(3,4-dichlorophenyl)butanenitrile
SMILESN#CCC[C@@H](N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H10Cl2N2/c11-8-4-3-7(6-9(8)12)10(14)2-1-5-13/h3-4,6,10H,1-2,14H2/t10-/m1/s1
InChIKeyNJOXFZBEKLRZJC-SNVBAGLBSA-N
XLogP3.30
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.11
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171220884
(4R)-4-(3,4-dichlorophenyl)-4-phenylbutanenitrile
CID 11833125
(1S)-1-(3,4-dichlorophenyl)-3-fluoropropan-1-amine
CID 131260292
[3-cyano-1-(3,4-dichlorophenyl)propyl]carbamic acid
CID 154330372
(2R)-2-amino-2-(3,4-dichlorophenyl)acetonitrile
CID 30082276
(2S)-2-amino-2-(3,4-dichlorophenyl)acetonitrile
CID 30082279
4-amino-4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanenitrile
CID 116939964
(2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 74889971
3-amino-3-(4-amino-3-chlorophenyl)propanenitrile
CID 55268479
1-(3,4-dichlorophenyl)-4-methylpent-4-en-1-amine
CID 114475615
1-(3,4-dichlorophenyl)-3-methylbutan-1-amine
CID 43344490
5-[(1R)-1-aminobutyl]-2-chlorobenzonitrile
CID 131106150

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-(3,4-dichlorophenyl)butanenitrile?
The IUPAC name of (4R)-4-amino-4-(3,4-dichlorophenyl)butanenitrile (CID 86705554) is (4R)-4-amino-4-(3,4-dichlorophenyl)butanenitrile.
What is the SMILES notation for (4R)-4-amino-4-(3,4-dichlorophenyl)butanenitrile?
The canonical SMILES for (4R)-4-amino-4-(3,4-dichlorophenyl)butanenitrile is N#CCC[C@@H](N)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (4R)-4-amino-4-(3,4-dichlorophenyl)butanenitrile?
The InChIKey is NJOXFZBEKLRZJC-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H10Cl2N2/c11-8-4-3-7(6-9(8)12)10(14)2-1-5-13/h3-4,6,10H,1-2,14H2/t10-/m1/s1.
What are the key properties of (4R)-4-amino-4-(3,4-dichlorophenyl)butanenitrile?
(4R)-4-amino-4-(3,4-dichlorophenyl)butanenitrile has a molecular weight of 229.11 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-4-(3,4-dichlorophenyl)butanenitrile is sourced from PubChem (CID 86705554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).