2-chloro-4-[(3-methoxy-2-methylpropyl)amino]phenol

C11H16ClNO2 — CID 107678691

IUPAC2-chloro-4-[(3-methoxy-2-methylpropyl)amino]phenol
SMILESCOCC(C)CNc1ccc(O)c(Cl)c1
InChIInChI=1S/C11H16ClNO2/c1-8(7-15-2)6-13-9-3-4-11(14)10(12)5-9/h3-5,8,13-14H,6-7H2,1-2H3
InChIKeyZGFGIIODDJMZOU-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.74
Rot. Bonds5

About 2-chloro-4-[(3-methoxy-2-methylpropyl)amino]phenol

2-chloro-4-[(3-methoxy-2-methylpropyl)amino]phenol (PubChem CID 107678691) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-chloro-4-[(3-methoxy-2-methylpropyl)amino]phenol.

Molecular Properties

Compound Name2-chloro-4-[(3-methoxy-2-methylpropyl)amino]phenol
PubChem CID107678691
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name2-chloro-4-[(3-methoxy-2-methylpropyl)amino]phenol
SMILESCOCC(C)CNc1ccc(O)c(Cl)c1
InChIInChI=1S/C11H16ClNO2/c1-8(7-15-2)6-13-9-3-4-11(14)10(12)5-9/h3-5,8,13-14H,6-7H2,1-2H3
InChIKeyZGFGIIODDJMZOU-UHFFFAOYSA-N
XLogP2.74
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(2-methylpropylamino)phenol
CID 107678389
3-chloro-N-(3-methoxy-2-methylpropyl)-4-propan-2-yloxyaniline
CID 116501045
4-chloro-3-methoxy-N-(3-methoxy-2-methylpropyl)aniline
CID 107272154
2-chloro-5-[(3-methoxy-2-methylpropyl)amino]benzoic acid
CID 116501087
2-chloro-5-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 116500994
3,5-dichloro-4-(difluoromethoxy)-N-(3-methoxy-2-methylpropyl)aniline
CID 116501176
3-bromo-4-methoxy-N-(3-methoxy-2-methylpropyl)aniline
CID 116501354
2-chloro-N-(3-methoxy-2-methylpropyl)-4-methylaniline
CID 116500841
3-iodo-N-(3-methoxy-2-methylpropyl)aniline
CID 116500847
4-[(3-chloro-4-hydroxyanilino)methyl]-2,6-dimethoxyphenol
CID 107678634
N-(3-chloro-4-hydroxyphenyl)-4-methoxy-2-methylbutanamide
CID 86785937
2-chloro-4-(1,1-dimethoxypropan-2-ylamino)phenol
CID 107678609

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3-methoxy-2-methylpropyl)amino]phenol?
The IUPAC name of 2-chloro-4-[(3-methoxy-2-methylpropyl)amino]phenol (CID 107678691) is 2-chloro-4-[(3-methoxy-2-methylpropyl)amino]phenol.
What is the SMILES notation for 2-chloro-4-[(3-methoxy-2-methylpropyl)amino]phenol?
The canonical SMILES for 2-chloro-4-[(3-methoxy-2-methylpropyl)amino]phenol is COCC(C)CNc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[(3-methoxy-2-methylpropyl)amino]phenol?
The InChIKey is ZGFGIIODDJMZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-8(7-15-2)6-13-9-3-4-11(14)10(12)5-9/h3-5,8,13-14H,6-7H2,1-2H3.
What are the key properties of 2-chloro-4-[(3-methoxy-2-methylpropyl)amino]phenol?
2-chloro-4-[(3-methoxy-2-methylpropyl)amino]phenol has a molecular weight of 229.71 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3-methoxy-2-methylpropyl)amino]phenol is sourced from PubChem (CID 107678691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).