1-amino-3-(2-chloro-5-methylphenoxy)-2-methylpropan-2-ol

C11H16ClNO2 — CID 82023075

IUPAC1-amino-3-(2-chloro-5-methylphenoxy)-2-methylpropan-2-ol
SMILESCc1ccc(Cl)c(OCC(C)(O)CN)c1
InChIInChI=1S/C11H16ClNO2/c1-8-3-4-9(12)10(5-8)15-7-11(2,14)6-13/h3-5,14H,6-7,13H2,1-2H3
InChIKeyJZKSHPYDWHKLSY-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.74
Rot. Bonds4

About 1-amino-3-(2-chloro-5-methylphenoxy)-2-methylpropan-2-ol

1-amino-3-(2-chloro-5-methylphenoxy)-2-methylpropan-2-ol (PubChem CID 82023075) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 1-amino-3-(2-chloro-5-methylphenoxy)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(2-chloro-5-methylphenoxy)-2-methylpropan-2-ol
PubChem CID82023075
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name1-amino-3-(2-chloro-5-methylphenoxy)-2-methylpropan-2-ol
SMILESCc1ccc(Cl)c(OCC(C)(O)CN)c1
InChIInChI=1S/C11H16ClNO2/c1-8-3-4-9(12)10(5-8)15-7-11(2,14)6-13/h3-5,14H,6-7,13H2,1-2H3
InChIKeyJZKSHPYDWHKLSY-UHFFFAOYSA-N
XLogP1.74
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(2-tert-butyl-5-methylphenoxy)-2-methylpropan-2-ol
CID 64813765
1-amino-2-methyl-3-(2,3,5-trimethylphenoxy)propan-2-ol
CID 64812758
2-[(2-chloro-5-methylphenoxy)methyl]prop-2-en-1-amine
CID 103066931
3-(2-chloro-5-methylphenoxy)-2,2-dimethoxypropan-1-ol
CID 176910307
2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
CID 103933583
2-(2-chloro-5-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 78770055
1-amino-3-(2-tert-butylphenoxy)-2-methylpropan-2-ol
CID 64814834
2-[2-(2-chloro-5-methylphenoxy)ethoxy]-5-methylaniline
CID 39399728
N-[3-(2-chloro-5-methylphenoxy)propyl]-2-methylpropan-2-amine
CID 2865567
methyl 3-(2-chloro-4-methylphenoxy)-2,2-dimethylpropanoate
CID 79622455
N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methylaniline
CID 55195145
2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethanol
CID 61075702

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-chloro-5-methylphenoxy)-2-methylpropan-2-ol?
The IUPAC name of 1-amino-3-(2-chloro-5-methylphenoxy)-2-methylpropan-2-ol (CID 82023075) is 1-amino-3-(2-chloro-5-methylphenoxy)-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(2-chloro-5-methylphenoxy)-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-3-(2-chloro-5-methylphenoxy)-2-methylpropan-2-ol is Cc1ccc(Cl)c(OCC(C)(O)CN)c1.
What is the InChIKey of 1-amino-3-(2-chloro-5-methylphenoxy)-2-methylpropan-2-ol?
The InChIKey is JZKSHPYDWHKLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-8-3-4-9(12)10(5-8)15-7-11(2,14)6-13/h3-5,14H,6-7,13H2,1-2H3.
What are the key properties of 1-amino-3-(2-chloro-5-methylphenoxy)-2-methylpropan-2-ol?
1-amino-3-(2-chloro-5-methylphenoxy)-2-methylpropan-2-ol has a molecular weight of 229.71 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-chloro-5-methylphenoxy)-2-methylpropan-2-ol is sourced from PubChem (CID 82023075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).