4-amino-2-chloro-6-ethylphenol

C8H10ClNO — CID 91674507

IUPAC4-amino-2-chloro-6-ethylphenol
SMILESCCc1cc(N)cc(Cl)c1O
InChIInChI=1S/C8H10ClNO/c1-2-5-3-6(10)4-7(9)8(5)11/h3-4,11H,2,10H2,1H3
InChIKeyNMQCTEVWXQCSHF-UHFFFAOYSA-N
MW171.63 g/mol
LogP2.19
Rot. Bonds1

About 4-amino-2-chloro-6-ethylphenol

4-amino-2-chloro-6-ethylphenol (PubChem CID 91674507) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 4-amino-2-chloro-6-ethylphenol.

Molecular Properties

Compound Name4-amino-2-chloro-6-ethylphenol
PubChem CID91674507
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name4-amino-2-chloro-6-ethylphenol
SMILESCCc1cc(N)cc(Cl)c1O
InChIInChI=1S/C8H10ClNO/c1-2-5-3-6(10)4-7(9)8(5)11/h3-4,11H,2,10H2,1H3
InChIKeyNMQCTEVWXQCSHF-UHFFFAOYSA-N
XLogP2.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2,6-dichlorophenol;urea
CID 154637850
4-amino-2-chloro-6-ethoxyphenol
CID 86120469
3-(aminomethyl)-5-chloro-4-ethylaniline
CID 174677128
2,6-diethylbenzene-1,4-diamine
CID 10154207
2-(aminomethyl)-6-chloro-4-ethylphenol;hydrochloride
CID 45259762
1-(5-amino-3-chloro-2-hydroxyphenyl)-2-bromoethanone
CID 171022602
2-amino-4-[(3-amino-5-ethyl-4-hydroxy-2-methylphenyl)methyl]-6-ethyl-3-methylphenol
CID 59194641
3-(3-chloro-5-ethyl-2-hydroxyphenyl)-2,2-dimethylpropanoic acid
CID 117395228
3,5-dichloro-4-ethylsulfonylaniline
CID 106891277
2-[(Z)-but-2-enyl]-4,6-dichlorophenol
CID 92532445
3,5-dichloro-4-(4-chloro-3-ethylphenoxy)aniline
CID 106891009
ethyl 2-(4-amino-2-chloro-6-methylphenyl)acetate
CID 171021330

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-6-ethylphenol?
The IUPAC name of 4-amino-2-chloro-6-ethylphenol (CID 91674507) is 4-amino-2-chloro-6-ethylphenol.
What is the SMILES notation for 4-amino-2-chloro-6-ethylphenol?
The canonical SMILES for 4-amino-2-chloro-6-ethylphenol is CCc1cc(N)cc(Cl)c1O.
What is the InChIKey of 4-amino-2-chloro-6-ethylphenol?
The InChIKey is NMQCTEVWXQCSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c1-2-5-3-6(10)4-7(9)8(5)11/h3-4,11H,2,10H2,1H3.
What are the key properties of 4-amino-2-chloro-6-ethylphenol?
4-amino-2-chloro-6-ethylphenol has a molecular weight of 171.63 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-6-ethylphenol is sourced from PubChem (CID 91674507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).