2-(butan-2-ylamino)-2-(2,6-dichlorophenyl)acetonitrile

C12H14Cl2N2 — CID 61023871

IUPAC2-(butan-2-ylamino)-2-(2,6-dichlorophenyl)acetonitrile
SMILESCCC(C)NC(C#N)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2N2/c1-3-8(2)16-11(7-15)12-9(13)5-4-6-10(12)14/h4-6,8,11,16H,3H2,1-2H3
InChIKeyMMNPOFBATZIEAV-UHFFFAOYSA-N
MW257.16 g/mol
LogP3.95
Rot. Bonds4

About 2-(butan-2-ylamino)-2-(2,6-dichlorophenyl)acetonitrile

2-(butan-2-ylamino)-2-(2,6-dichlorophenyl)acetonitrile (PubChem CID 61023871) has the molecular formula C12H14Cl2N2 and a molecular weight of 257.16 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-2-(2,6-dichlorophenyl)acetonitrile.

Molecular Properties

Compound Name2-(butan-2-ylamino)-2-(2,6-dichlorophenyl)acetonitrile
PubChem CID61023871
Molecular FormulaC12H14Cl2N2
Molecular Weight257.16 g/mol
Exact Mass256.05
IUPAC Name2-(butan-2-ylamino)-2-(2,6-dichlorophenyl)acetonitrile
SMILESCCC(C)NC(C#N)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2N2/c1-3-8(2)16-11(7-15)12-9(13)5-4-6-10(12)14/h4-6,8,11,16H,3H2,1-2H3
InChIKeyMMNPOFBATZIEAV-UHFFFAOYSA-N
XLogP3.95
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butan-2-ylamino)-2-(3-methylphenyl)acetonitrile
CID 61023744
2-(butan-2-ylamino)-2-(5-chloro-2-fluorophenyl)acetonitrile
CID 114843576
2-(butan-2-ylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 61210762
2-(4-bromo-5-chlorothiophen-2-yl)-2-(butan-2-ylamino)acetonitrile
CID 102840398
2-amino-2-(2,6-dichlorophenyl)acetonitrile;hydrochloride
CID 13352447
2-(butan-2-ylamino)-2-(3-fluoro-4-methylphenyl)acetonitrile
CID 63648620
1-(2,6-dichlorophenyl)-2-ethyl-N-methylbutan-1-amine
CID 105013912
2-(2-chlorophenyl)-2-(ethylamino)acetonitrile
CID 25213809
2-[(2-chloro-6-methoxyphenyl)-hydroxymethyl]butanenitrile
CID 104819040
2-(2,6-dichlorophenyl)-3-oxopentanenitrile
CID 43156692
2-[(1R)-1-aminopropyl]-3-chlorobenzonitrile
CID 131172920
2-(butan-2-ylamino)-2-(3-methylimidazol-4-yl)acetonitrile
CID 66117738

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-2-(2,6-dichlorophenyl)acetonitrile?
The IUPAC name of 2-(butan-2-ylamino)-2-(2,6-dichlorophenyl)acetonitrile (CID 61023871) is 2-(butan-2-ylamino)-2-(2,6-dichlorophenyl)acetonitrile.
What is the SMILES notation for 2-(butan-2-ylamino)-2-(2,6-dichlorophenyl)acetonitrile?
The canonical SMILES for 2-(butan-2-ylamino)-2-(2,6-dichlorophenyl)acetonitrile is CCC(C)NC(C#N)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(butan-2-ylamino)-2-(2,6-dichlorophenyl)acetonitrile?
The InChIKey is MMNPOFBATZIEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2/c1-3-8(2)16-11(7-15)12-9(13)5-4-6-10(12)14/h4-6,8,11,16H,3H2,1-2H3.
What are the key properties of 2-(butan-2-ylamino)-2-(2,6-dichlorophenyl)acetonitrile?
2-(butan-2-ylamino)-2-(2,6-dichlorophenyl)acetonitrile has a molecular weight of 257.16 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-2-(2,6-dichlorophenyl)acetonitrile is sourced from PubChem (CID 61023871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).