2-chloro-4-[[(2R)-1-methoxypropan-2-yl]amino]benzonitrile

C11H13ClN2O — CID 94473129

IUPAC2-chloro-4-[[(2R)-1-methoxypropan-2-yl]amino]benzonitrile
SMILESCOC[C@@H](C)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C11H13ClN2O/c1-8(7-15-2)14-10-4-3-9(6-13)11(12)5-10/h3-5,8,14H,7H2,1-2H3/t8-/m1/s1
InChIKeyILBHAZHAXGDDSI-MRVPVSSYSA-N
MW224.69 g/mol
LogP2.66
Rot. Bonds4

About 2-chloro-4-[[(2R)-1-methoxypropan-2-yl]amino]benzonitrile

2-chloro-4-[[(2R)-1-methoxypropan-2-yl]amino]benzonitrile (PubChem CID 94473129) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-chloro-4-[[(2R)-1-methoxypropan-2-yl]amino]benzonitrile.

Molecular Properties

Compound Name2-chloro-4-[[(2R)-1-methoxypropan-2-yl]amino]benzonitrile
PubChem CID94473129
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name2-chloro-4-[[(2R)-1-methoxypropan-2-yl]amino]benzonitrile
SMILESCOC[C@@H](C)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C11H13ClN2O/c1-8(7-15-2)14-10-4-3-9(6-13)11(12)5-10/h3-5,8,14H,7H2,1-2H3/t8-/m1/s1
InChIKeyILBHAZHAXGDDSI-MRVPVSSYSA-N
XLogP2.66
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[1-(4-methoxyphenyl)propan-2-ylamino]benzonitrile
CID 43508838
2-chloro-4-[1-(2-methoxyphenyl)propan-2-ylamino]benzonitrile
CID 43775110
2-chloro-4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]benzonitrile
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CID 115744740
3-chloro-N-(1-methoxypropan-2-yl)-4-nitroaniline
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5-(1-methoxypropan-2-ylamino)-2-nitrobenzonitrile
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2-chloro-4-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile
CID 63511677
2-chloro-4-[1-(4-hydroxyphenyl)propan-2-ylamino]benzonitrile
CID 115494021
3-chloro-4-ethoxy-N-(1-methoxypropan-2-yl)aniline
CID 62534724
methyl (3S)-3-(3-chloro-4-cyanoanilino)-4-(2-methoxyethylamino)butanoate
CID 59516177
2-chloro-4-(1-thiophen-3-ylpropan-2-ylamino)benzonitrile
CID 62946195
2-chloro-4-[[(1R)-1-cyclopropylethyl]amino]benzonitrile
CID 93300791

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[(2R)-1-methoxypropan-2-yl]amino]benzonitrile?
The IUPAC name of 2-chloro-4-[[(2R)-1-methoxypropan-2-yl]amino]benzonitrile (CID 94473129) is 2-chloro-4-[[(2R)-1-methoxypropan-2-yl]amino]benzonitrile.
What is the SMILES notation for 2-chloro-4-[[(2R)-1-methoxypropan-2-yl]amino]benzonitrile?
The canonical SMILES for 2-chloro-4-[[(2R)-1-methoxypropan-2-yl]amino]benzonitrile is COC[C@@H](C)Nc1ccc(C#N)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[[(2R)-1-methoxypropan-2-yl]amino]benzonitrile?
The InChIKey is ILBHAZHAXGDDSI-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-8(7-15-2)14-10-4-3-9(6-13)11(12)5-10/h3-5,8,14H,7H2,1-2H3/t8-/m1/s1.
What are the key properties of 2-chloro-4-[[(2R)-1-methoxypropan-2-yl]amino]benzonitrile?
2-chloro-4-[[(2R)-1-methoxypropan-2-yl]amino]benzonitrile has a molecular weight of 224.69 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[(2R)-1-methoxypropan-2-yl]amino]benzonitrile is sourced from PubChem (CID 94473129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).