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

C10H13ClFNO — CID 117310420

IUPAC2-(1-aminopropan-2-yl)-6-chloro-4-fluoro-3-methylphenol
SMILESCc1c(F)cc(Cl)c(O)c1C(C)CN
InChIInChI=1S/C10H13ClFNO/c1-5(4-13)9-6(2)8(12)3-7(11)10(9)14/h3,5,14H,4,13H2,1-2H3
InChIKeySQZVTCCXWWHDMW-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.56
Rot. Bonds2

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

2-(1-aminopropan-2-yl)-6-chloro-4-fluoro-3-methylphenol (PubChem CID 117310420) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 2-(1-aminopropan-2-yl)-6-chloro-4-fluoro-3-methylphenol.

Molecular Properties

Compound Name2-(1-aminopropan-2-yl)-6-chloro-4-fluoro-3-methylphenol
PubChem CID117310420
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name2-(1-aminopropan-2-yl)-6-chloro-4-fluoro-3-methylphenol
SMILESCc1c(F)cc(Cl)c(O)c1C(C)CN
InChIInChI=1S/C10H13ClFNO/c1-5(4-13)9-6(2)8(12)3-7(11)10(9)14/h3,5,14H,4,13H2,1-2H3
InChIKeySQZVTCCXWWHDMW-UHFFFAOYSA-N
XLogP2.56
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-4-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)butanoic acid
CID 117408962
2-(2,5-difluoro-3,6-dimethylphenyl)propan-1-amine
CID 117288685
2-(1-aminoethyl)-6-chloro-3,4-difluorophenol
CID 117296950
2-amino-2-(3-chloro-5-fluoro-2,6-dimethylphenyl)ethanol
CID 84785836
4-(1-aminopropan-2-yl)-2-chloro-3,5-difluorophenol
CID 84788308
2-(1-aminopropan-2-yl)-4-chloro-5-fluorophenol
CID 84777609
2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-1-ol
CID 117337268
2-(1-aminopropan-2-yl)-4-chloro-3-fluoro-6-methoxyphenol
CID 117339631
2-[(E)-3-aminoprop-1-enyl]-4-chloro-6-fluoro-3-methylphenol
CID 117307304
2-(4-aminobutyl)-4-chloro-6-fluoro-3-methylphenol
CID 117335570
2-(1-aminopropan-2-yl)-3,4-difluoro-6-methoxyphenol
CID 117309015
2-(4-chloro-2,3,5,6-tetrafluorophenyl)propan-1-amine
CID 115113261

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-yl)-6-chloro-4-fluoro-3-methylphenol?
The IUPAC name of 2-(1-aminopropan-2-yl)-6-chloro-4-fluoro-3-methylphenol (CID 117310420) is 2-(1-aminopropan-2-yl)-6-chloro-4-fluoro-3-methylphenol.
What is the SMILES notation for 2-(1-aminopropan-2-yl)-6-chloro-4-fluoro-3-methylphenol?
The canonical SMILES for 2-(1-aminopropan-2-yl)-6-chloro-4-fluoro-3-methylphenol is Cc1c(F)cc(Cl)c(O)c1C(C)CN.
What is the InChIKey of 2-(1-aminopropan-2-yl)-6-chloro-4-fluoro-3-methylphenol?
The InChIKey is SQZVTCCXWWHDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-5(4-13)9-6(2)8(12)3-7(11)10(9)14/h3,5,14H,4,13H2,1-2H3.
What are the key properties of 2-(1-aminopropan-2-yl)-6-chloro-4-fluoro-3-methylphenol?
2-(1-aminopropan-2-yl)-6-chloro-4-fluoro-3-methylphenol has a molecular weight of 217.67 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-yl)-6-chloro-4-fluoro-3-methylphenol is sourced from PubChem (CID 117310420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).