2-amino-3-[(Z)-3-chloro-2-methylprop-2-enoxy]phenol

C10H12ClNO2 — CID 106436628

IUPAC2-amino-3-[(Z)-3-chloro-2-methylprop-2-enoxy]phenol
SMILESC/C(=C/Cl)COc1cccc(O)c1N
InChIInChI=1S/C10H12ClNO2/c1-7(5-11)6-14-9-4-2-3-8(13)10(9)12/h2-5,13H,6,12H2,1H3/b7-5-
InChIKeyHCZVJGOWFJPVQT-ALCCZGGFSA-N
MW213.66 g/mol
LogP2.50
Rot. Bonds3

About 2-amino-3-[(Z)-3-chloro-2-methylprop-2-enoxy]phenol

2-amino-3-[(Z)-3-chloro-2-methylprop-2-enoxy]phenol (PubChem CID 106436628) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-amino-3-[(Z)-3-chloro-2-methylprop-2-enoxy]phenol.

Molecular Properties

Compound Name2-amino-3-[(Z)-3-chloro-2-methylprop-2-enoxy]phenol
PubChem CID106436628
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name2-amino-3-[(Z)-3-chloro-2-methylprop-2-enoxy]phenol
SMILESC/C(=C/Cl)COc1cccc(O)c1N
InChIInChI=1S/C10H12ClNO2/c1-7(5-11)6-14-9-4-2-3-8(13)10(9)12/h2-5,13H,6,12H2,1H3/b7-5-
InChIKeyHCZVJGOWFJPVQT-ALCCZGGFSA-N
XLogP2.50
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methanamine
CID 106437069
2-(2-amino-3-hydroxyphenoxy)acetamide
CID 114764309
3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-methylaniline
CID 106436595
5-[(Z)-3-chloro-2-methylprop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106437029
4-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methoxyaniline
CID 106436606
3-[(Z)-3-chloro-2-methylprop-2-enoxy]-6-methylpyridin-2-amine
CID 106436603
2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyaniline
CID 106436579
1-[2-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol
CID 106438801
2-(2-amino-3-hydroxyphenoxy)-N-propan-2-ylacetamide
CID 114764237
2-amino-3-(3-hydroxypropoxy)phenol
CID 114764312
1-[2-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]-N-methylethanamine
CID 106436811
2-amino-3-(3,3-dimethylbutoxy)phenol
CID 114764205

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(Z)-3-chloro-2-methylprop-2-enoxy]phenol?
The IUPAC name of 2-amino-3-[(Z)-3-chloro-2-methylprop-2-enoxy]phenol (CID 106436628) is 2-amino-3-[(Z)-3-chloro-2-methylprop-2-enoxy]phenol.
What is the SMILES notation for 2-amino-3-[(Z)-3-chloro-2-methylprop-2-enoxy]phenol?
The canonical SMILES for 2-amino-3-[(Z)-3-chloro-2-methylprop-2-enoxy]phenol is C/C(=C/Cl)COc1cccc(O)c1N.
What is the InChIKey of 2-amino-3-[(Z)-3-chloro-2-methylprop-2-enoxy]phenol?
The InChIKey is HCZVJGOWFJPVQT-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-7(5-11)6-14-9-4-2-3-8(13)10(9)12/h2-5,13H,6,12H2,1H3/b7-5-.
What are the key properties of 2-amino-3-[(Z)-3-chloro-2-methylprop-2-enoxy]phenol?
2-amino-3-[(Z)-3-chloro-2-methylprop-2-enoxy]phenol has a molecular weight of 213.66 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(Z)-3-chloro-2-methylprop-2-enoxy]phenol is sourced from PubChem (CID 106436628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).