2-amino-5-chloro-4-propan-2-yloxybenzonitrile

C10H11ClN2O — CID 20506444

IUPAC2-amino-5-chloro-4-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1cc(N)c(C#N)cc1Cl
InChIInChI=1S/C10H11ClN2O/c1-6(2)14-10-4-9(13)7(5-12)3-8(10)11/h3-4,6H,13H2,1-2H3
InChIKeyNGZQWURZSXCYPU-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.58
Rot. Bonds2

About 2-amino-5-chloro-4-propan-2-yloxybenzonitrile

2-amino-5-chloro-4-propan-2-yloxybenzonitrile (PubChem CID 20506444) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 2-amino-5-chloro-4-propan-2-yloxybenzonitrile.

Molecular Properties

Compound Name2-amino-5-chloro-4-propan-2-yloxybenzonitrile
PubChem CID20506444
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name2-amino-5-chloro-4-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1cc(N)c(C#N)cc1Cl
InChIInChI=1S/C10H11ClN2O/c1-6(2)14-10-4-9(13)7(5-12)3-8(10)11/h3-4,6H,13H2,1-2H3
InChIKeyNGZQWURZSXCYPU-UHFFFAOYSA-N
XLogP2.58
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-4-propan-2-yloxyaniline
CID 84819900
2-amino-4-chloro-5-methoxybenzonitrile
CID 130139412
4,5-di(propan-2-yloxy)benzene-1,2-dicarbonitrile
CID 141478282
5-amino-1-(2,4-dichloro-5-propan-2-yloxyphenyl)pyrazole-4-carbonitrile
CID 12952972
5-chloro-2-fluoro-4-propan-2-yloxyaniline
CID 130516814
4-amino-2-propan-2-yloxybenzonitrile
CID 131557509
2-(5-amino-2-chloro-4-fluorophenoxy)propanenitrile
CID 19986362
2,5-diamino-4-chlorobenzonitrile
CID 171016548
3-amino-4-propan-2-yloxybenzonitrile
CID 43518279
1,5-dichloro-2-methoxy-4-propan-2-yloxybenzene
CID 153108822
2-(4-chloro-3-propan-2-yloxyphenyl)-2-methylpropanenitrile
CID 84798947
5-(4-chlorophenyl)-2-propan-2-yloxybenzonitrile
CID 175684056

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-4-propan-2-yloxybenzonitrile?
The IUPAC name of 2-amino-5-chloro-4-propan-2-yloxybenzonitrile (CID 20506444) is 2-amino-5-chloro-4-propan-2-yloxybenzonitrile.
What is the SMILES notation for 2-amino-5-chloro-4-propan-2-yloxybenzonitrile?
The canonical SMILES for 2-amino-5-chloro-4-propan-2-yloxybenzonitrile is CC(C)Oc1cc(N)c(C#N)cc1Cl.
What is the InChIKey of 2-amino-5-chloro-4-propan-2-yloxybenzonitrile?
The InChIKey is NGZQWURZSXCYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-6(2)14-10-4-9(13)7(5-12)3-8(10)11/h3-4,6H,13H2,1-2H3.
What are the key properties of 2-amino-5-chloro-4-propan-2-yloxybenzonitrile?
2-amino-5-chloro-4-propan-2-yloxybenzonitrile has a molecular weight of 210.66 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-4-propan-2-yloxybenzonitrile is sourced from PubChem (CID 20506444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).