2,5-dichloro-4-propan-2-yloxyaniline

C9H11Cl2NO — CID 84819900

IUPAC2,5-dichloro-4-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(Cl)c(N)cc1Cl
InChIInChI=1S/C9H11Cl2NO/c1-5(2)13-9-4-6(10)8(12)3-7(9)11/h3-5H,12H2,1-2H3
InChIKeyQRKVKBNDQNXKTE-UHFFFAOYSA-N
MW220.10 g/mol
LogP3.36
Rot. Bonds2

About 2,5-dichloro-4-propan-2-yloxyaniline

2,5-dichloro-4-propan-2-yloxyaniline (PubChem CID 84819900) has the molecular formula C9H11Cl2NO and a molecular weight of 220.10 g/mol. Its IUPAC name is 2,5-dichloro-4-propan-2-yloxyaniline.

Molecular Properties

Compound Name2,5-dichloro-4-propan-2-yloxyaniline
PubChem CID84819900
Molecular FormulaC9H11Cl2NO
Molecular Weight220.10 g/mol
Exact Mass219.02
IUPAC Name2,5-dichloro-4-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(Cl)c(N)cc1Cl
InChIInChI=1S/C9H11Cl2NO/c1-5(2)13-9-4-6(10)8(12)3-7(9)11/h3-5H,12H2,1-2H3
InChIKeyQRKVKBNDQNXKTE-UHFFFAOYSA-N
XLogP3.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-fluoro-4-propan-2-yloxyaniline
CID 130516814
4-chloro-2,5-di(propan-2-yloxy)phenol
CID 82267991
1-bromo-2,5-dichloro-4-propan-2-yloxybenzene
CID 97057561
4-(4-amino-2,5-dichlorophenoxy)-2,5-dichloroaniline
CID 20555108
2-amino-5-chloro-4-propan-2-yloxybenzonitrile
CID 20506444
1,5-dichloro-2-methoxy-4-propan-2-yloxybenzene
CID 153108822
4-chloro-2-fluoro-5-propan-2-yloxybenzenediazonium
CID 11230465
2-chloro-5-propan-2-yloxyaniline
CID 39237829
2-chloro-4-propan-2-yloxyaniline
CID 62113434
chloroform;(2,4-dichloro-5-propan-2-yloxyphenyl)hydrazine
CID 159749309
2-[4-chloro-2,5-di(propan-2-yloxy)phenyl]acetic acid
CID 82267978
2-chloro-4,5-di(propan-2-yloxy)phenol
CID 82268188

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-propan-2-yloxyaniline?
The IUPAC name of 2,5-dichloro-4-propan-2-yloxyaniline (CID 84819900) is 2,5-dichloro-4-propan-2-yloxyaniline.
What is the SMILES notation for 2,5-dichloro-4-propan-2-yloxyaniline?
The canonical SMILES for 2,5-dichloro-4-propan-2-yloxyaniline is CC(C)Oc1cc(Cl)c(N)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-propan-2-yloxyaniline?
The InChIKey is QRKVKBNDQNXKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO/c1-5(2)13-9-4-6(10)8(12)3-7(9)11/h3-5H,12H2,1-2H3.
What are the key properties of 2,5-dichloro-4-propan-2-yloxyaniline?
2,5-dichloro-4-propan-2-yloxyaniline has a molecular weight of 220.10 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-propan-2-yloxyaniline is sourced from PubChem (CID 84819900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).