1-(3-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol

C13H18ClNO2 — CID 66335627

IUPAC1-(3-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
SMILESCC(O)(CNC1CC1)COc1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO2/c1-13(16,8-15-11-5-6-11)9-17-12-4-2-3-10(14)7-12/h2-4,7,11,15-16H,5-6,8-9H2,1H3
InChIKeyGGFAIFFZDWURQV-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.22
Rot. Bonds6

About 1-(3-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol

1-(3-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol (PubChem CID 66335627) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
PubChem CID66335627
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name1-(3-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
SMILESCC(O)(CNC1CC1)COc1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO2/c1-13(16,8-15-11-5-6-11)9-17-12-4-2-3-10(14)7-12/h2-4,7,11,15-16H,5-6,8-9H2,1H3
InChIKeyGGFAIFFZDWURQV-UHFFFAOYSA-N
XLogP2.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenoxy)-2-methyl-3-sulfanylpropan-2-ol
CID 20556082
1-(2-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66336227
1-(4-bromo-2-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66336244
2-(3-chlorophenyl)-1-(cyclopentylamino)propan-2-ol
CID 119107466
1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)-2-methylpropan-2-ol
CID 107657515
N-[4-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]phenyl]acetamide
CID 66336225
N-[3-(3-ethylphenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79628392
1-(2-chloro-6-nitrophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 107716495
1-(cyclopropylamino)-3-(2-ethylphenoxy)-2-methylpropan-2-ol
CID 66336099
N-[[3-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62460631
1-(3-chlorophenoxy)-3-[(4-ethylcyclohexyl)amino]propan-2-ol
CID 60970986
1-(5-bromo-2-methylphenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 107283630

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(3-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol (CID 66335627) is 1-(3-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(3-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(3-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol is CC(O)(CNC1CC1)COc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol?
The InChIKey is GGFAIFFZDWURQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-13(16,8-15-11-5-6-11)9-17-12-4-2-3-10(14)7-12/h2-4,7,11,15-16H,5-6,8-9H2,1H3.
What are the key properties of 1-(3-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol?
1-(3-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol has a molecular weight of 255.74 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 66335627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).