2-(1-aminopropan-2-yl)-4-chloro-3-fluoro-6-methoxyphenol

C10H13ClFNO2 — CID 117339631

IUPAC2-(1-aminopropan-2-yl)-4-chloro-3-fluoro-6-methoxyphenol
SMILESCOc1cc(Cl)c(F)c(C(C)CN)c1O
InChIInChI=1S/C10H13ClFNO2/c1-5(4-13)8-9(12)6(11)3-7(15-2)10(8)14/h3,5,14H,4,13H2,1-2H3
InChIKeyUWEVPOQFXKTTFE-UHFFFAOYSA-N
MW233.67 g/mol
LogP2.26
Rot. Bonds3

About 2-(1-aminopropan-2-yl)-4-chloro-3-fluoro-6-methoxyphenol

2-(1-aminopropan-2-yl)-4-chloro-3-fluoro-6-methoxyphenol (PubChem CID 117339631) has the molecular formula C10H13ClFNO2 and a molecular weight of 233.67 g/mol. Its IUPAC name is 2-(1-aminopropan-2-yl)-4-chloro-3-fluoro-6-methoxyphenol.

Molecular Properties

Compound Name2-(1-aminopropan-2-yl)-4-chloro-3-fluoro-6-methoxyphenol
PubChem CID117339631
Molecular FormulaC10H13ClFNO2
Molecular Weight233.67 g/mol
Exact Mass233.06
IUPAC Name2-(1-aminopropan-2-yl)-4-chloro-3-fluoro-6-methoxyphenol
SMILESCOc1cc(Cl)c(F)c(C(C)CN)c1O
InChIInChI=1S/C10H13ClFNO2/c1-5(4-13)8-9(12)6(11)3-7(15-2)10(8)14/h3,5,14H,4,13H2,1-2H3
InChIKeyUWEVPOQFXKTTFE-UHFFFAOYSA-N
XLogP2.26
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-1-hydroxyethyl)-4-chloro-3-fluoro-6-methoxyphenol
CID 117343845
2-(1-aminopropan-2-yl)-3,4-difluoro-6-methoxyphenol
CID 117309015
3-amino-2-(3-chloro-2-fluoro-6-hydroxy-5-methoxyphenyl)propanoic acid
CID 117413939
2-(2,6-difluoro-3,5-dimethoxyphenyl)propan-1-amine
CID 117333864
5-(1-aminopropan-2-yl)-4-chloro-2-methoxyphenol
CID 105426015
2-(2-amino-1-hydroxyethyl)-3-chloro-4-fluoro-6-methoxyphenol
CID 117343844
2-(1-aminopropan-2-yl)-5-fluoro-3-methoxyphenol
CID 117288596
2-(aminomethyl)-6-chloro-3-fluoro-4-methoxyphenol
CID 84778833
3-(4-aminobutan-2-yl)-5-chloro-4-fluoro-2-methoxyphenol
CID 117372479
2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-amine
CID 83887883
3-(1-aminopropan-2-yl)-2-fluoro-6-methoxyphenol
CID 117288592
5-chloro-4-fluoro-3-(1-hydroxypropan-2-yl)benzene-1,2-diol
CID 117314997

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-yl)-4-chloro-3-fluoro-6-methoxyphenol?
The IUPAC name of 2-(1-aminopropan-2-yl)-4-chloro-3-fluoro-6-methoxyphenol (CID 117339631) is 2-(1-aminopropan-2-yl)-4-chloro-3-fluoro-6-methoxyphenol.
What is the SMILES notation for 2-(1-aminopropan-2-yl)-4-chloro-3-fluoro-6-methoxyphenol?
The canonical SMILES for 2-(1-aminopropan-2-yl)-4-chloro-3-fluoro-6-methoxyphenol is COc1cc(Cl)c(F)c(C(C)CN)c1O.
What is the InChIKey of 2-(1-aminopropan-2-yl)-4-chloro-3-fluoro-6-methoxyphenol?
The InChIKey is UWEVPOQFXKTTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO2/c1-5(4-13)8-9(12)6(11)3-7(15-2)10(8)14/h3,5,14H,4,13H2,1-2H3.
What are the key properties of 2-(1-aminopropan-2-yl)-4-chloro-3-fluoro-6-methoxyphenol?
2-(1-aminopropan-2-yl)-4-chloro-3-fluoro-6-methoxyphenol has a molecular weight of 233.67 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-yl)-4-chloro-3-fluoro-6-methoxyphenol is sourced from PubChem (CID 117339631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).