2-chloro-5-propan-2-yloxyaniline

C9H12ClNO — CID 39237829

IUPAC2-chloro-5-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(Cl)c(N)c1
InChIInChI=1S/C9H12ClNO/c1-6(2)12-7-3-4-8(10)9(11)5-7/h3-6H,11H2,1-2H3
InChIKeyGFFIUQGWWLTVMN-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.71
Rot. Bonds2

About 2-chloro-5-propan-2-yloxyaniline

2-chloro-5-propan-2-yloxyaniline (PubChem CID 39237829) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 2-chloro-5-propan-2-yloxyaniline.

Molecular Properties

Compound Name2-chloro-5-propan-2-yloxyaniline
PubChem CID39237829
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name2-chloro-5-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(Cl)c(N)c1
InChIInChI=1S/C9H12ClNO/c1-6(2)12-7-3-4-8(10)9(11)5-7/h3-6H,11H2,1-2H3
InChIKeyGFFIUQGWWLTVMN-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.71
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

2-chloro-4-propan-2-yloxyaniline
CID 62113434
2-chloro-5-(1-phenylethoxy)aniline
CID 58022217
2,5-di(propan-2-yloxy)aniline
CID 18997718
2-methoxy-5-propan-2-yloxyaniline
CID 10081024
(2-amino-4-propan-2-yloxyphenyl)methanediol
CID 142498218
(3-amino-4-chlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 116552234
4-(3,4-dichlorophenoxy)-2-propan-2-yloxyaniline
CID 83002626
2,5-dichloro-4-propan-2-yloxyaniline
CID 84819900
propan-2-yl 3-amino-4-chlorobenzoate;hydrochloride
CID 132648281
1-chloro-3-propan-2-yloxybenzene;hydrazine
CID 174829987
bis(3-amino-4-chlorophenoxy)-oxophosphanium
CID 57214752
methyl 2-(3-amino-4-chlorophenoxy)acetate
CID 66717604

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-propan-2-yloxyaniline?
The IUPAC name of 2-chloro-5-propan-2-yloxyaniline (CID 39237829) is 2-chloro-5-propan-2-yloxyaniline.
What is the SMILES notation for 2-chloro-5-propan-2-yloxyaniline?
The canonical SMILES for 2-chloro-5-propan-2-yloxyaniline is CC(C)Oc1ccc(Cl)c(N)c1.
What is the InChIKey of 2-chloro-5-propan-2-yloxyaniline?
The InChIKey is GFFIUQGWWLTVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-6(2)12-7-3-4-8(10)9(11)5-7/h3-6H,11H2,1-2H3.
What are the key properties of 2-chloro-5-propan-2-yloxyaniline?
2-chloro-5-propan-2-yloxyaniline has a molecular weight of 185.65 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-propan-2-yloxyaniline is sourced from PubChem (CID 39237829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).