2-amino-6-chloro-4-propan-2-ylphenol

C9H12ClNO — CID 21209246

IUPAC2-amino-6-chloro-4-propan-2-ylphenol
SMILESCC(C)c1cc(N)c(O)c(Cl)c1
InChIInChI=1S/C9H12ClNO/c1-5(2)6-3-7(10)9(12)8(11)4-6/h3-5,12H,11H2,1-2H3
InChIKeyWNTVGXFITGZSBM-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.75
Rot. Bonds1

About 2-amino-6-chloro-4-propan-2-ylphenol

2-amino-6-chloro-4-propan-2-ylphenol (PubChem CID 21209246) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 2-amino-6-chloro-4-propan-2-ylphenol.

Molecular Properties

Compound Name2-amino-6-chloro-4-propan-2-ylphenol
PubChem CID21209246
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name2-amino-6-chloro-4-propan-2-ylphenol
SMILESCC(C)c1cc(N)c(O)c(Cl)c1
InChIInChI=1S/C9H12ClNO/c1-5(2)6-3-7(10)9(12)8(11)4-6/h3-5,12H,11H2,1-2H3
InChIKeyWNTVGXFITGZSBM-UHFFFAOYSA-N
XLogP2.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-chloro-4-fluorophenol
CID 11275173
2-(aminomethyl)-6-chloro-4-propan-2-ylphenol
CID 12652136
2-(2-aminopropan-2-yl)-6-chloro-4-propan-2-ylphenol
CID 117327992
1,2,3-trichloro-5-propan-2-ylbenzene
CID 20811691
2-bromo-6-chloro-4-propan-2-ylaniline
CID 164890757
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dichlorophenol
CID 131154403
4-(1-aminoethyl)-2-chloro-6-methylphenol
CID 84660355
1-(3-amino-5-chloro-4-hydroxyphenyl)ethanone
CID 82105974
2-amino-6-chloro-4-propylphenol
CID 175267569
3-amino-5-(1-aminoethyl)benzene-1,2-diol
CID 130060617
2-chloro-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol
CID 169382336
N-(3-amino-5-chloro-4-hydroxyphenyl)acetamide
CID 70464969

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-4-propan-2-ylphenol?
The IUPAC name of 2-amino-6-chloro-4-propan-2-ylphenol (CID 21209246) is 2-amino-6-chloro-4-propan-2-ylphenol.
What is the SMILES notation for 2-amino-6-chloro-4-propan-2-ylphenol?
The canonical SMILES for 2-amino-6-chloro-4-propan-2-ylphenol is CC(C)c1cc(N)c(O)c(Cl)c1.
What is the InChIKey of 2-amino-6-chloro-4-propan-2-ylphenol?
The InChIKey is WNTVGXFITGZSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-5(2)6-3-7(10)9(12)8(11)4-6/h3-5,12H,11H2,1-2H3.
What are the key properties of 2-amino-6-chloro-4-propan-2-ylphenol?
2-amino-6-chloro-4-propan-2-ylphenol has a molecular weight of 185.65 g/mol, XLogP of 2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-4-propan-2-ylphenol is sourced from PubChem (CID 21209246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).