2-[(1R)-1-amino-2-methylpropyl]-5-chloro-4-fluorophenol

C10H13ClFNO — CID 130699208

IUPAC2-[(1R)-1-amino-2-methylpropyl]-5-chloro-4-fluorophenol
SMILESCC(C)[C@@H](N)c1cc(F)c(Cl)cc1O
InChIInChI=1S/C10H13ClFNO/c1-5(2)10(13)6-3-8(12)7(11)4-9(6)14/h3-5,10,14H,13H2,1-2H3/t10-/m1/s1
InChIKeyKTZAHIRLTBLMAU-SNVBAGLBSA-N
MW217.67 g/mol
LogP2.84
Rot. Bonds2

About 2-[(1R)-1-amino-2-methylpropyl]-5-chloro-4-fluorophenol

2-[(1R)-1-amino-2-methylpropyl]-5-chloro-4-fluorophenol (PubChem CID 130699208) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2-methylpropyl]-5-chloro-4-fluorophenol.

Molecular Properties

Compound Name2-[(1R)-1-amino-2-methylpropyl]-5-chloro-4-fluorophenol
PubChem CID130699208
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name2-[(1R)-1-amino-2-methylpropyl]-5-chloro-4-fluorophenol
SMILESCC(C)[C@@H](N)c1cc(F)c(Cl)cc1O
InChIInChI=1S/C10H13ClFNO/c1-5(2)10(13)6-3-8(12)7(11)4-9(6)14/h3-5,10,14H,13H2,1-2H3/t10-/m1/s1
InChIKeyKTZAHIRLTBLMAU-SNVBAGLBSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(4-chloro-2,5-difluorophenyl)-2-methylpropan-1-amine
CID 130706083
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-5-chloro-4-fluorophenol
CID 66511183
2-amino-2-(4-chloro-5-fluoro-2-hydroxyphenyl)acetic acid
CID 77128675
2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,5-difluorophenol
CID 131057025
4-chloro-2-(difluoromethyl)-5-fluorophenol
CID 84667188
2-(1-aminopropan-2-yl)-4-chloro-5-fluorophenol
CID 84777609
2-[(1R)-1-aminoethyl]-4,5-difluorophenol
CID 55275252
2-[(1S)-1-aminoethyl]-4,5-dichlorophenol
CID 96708426
2-(1-amino-2-hydroxyethyl)-4-chloro-5-fluorophenol
CID 77129858
2-(2-aminopropyl)-4-chloro-5-fluorophenol
CID 117292217
2,5-dichloro-4-fluorophenol
CID 3535760
4-(1-amino-2-methylpropyl)-3-fluorophenol
CID 55282884

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2-methylpropyl]-5-chloro-4-fluorophenol?
The IUPAC name of 2-[(1R)-1-amino-2-methylpropyl]-5-chloro-4-fluorophenol (CID 130699208) is 2-[(1R)-1-amino-2-methylpropyl]-5-chloro-4-fluorophenol.
What is the SMILES notation for 2-[(1R)-1-amino-2-methylpropyl]-5-chloro-4-fluorophenol?
The canonical SMILES for 2-[(1R)-1-amino-2-methylpropyl]-5-chloro-4-fluorophenol is CC(C)[C@@H](N)c1cc(F)c(Cl)cc1O.
What is the InChIKey of 2-[(1R)-1-amino-2-methylpropyl]-5-chloro-4-fluorophenol?
The InChIKey is KTZAHIRLTBLMAU-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-5(2)10(13)6-3-8(12)7(11)4-9(6)14/h3-5,10,14H,13H2,1-2H3/t10-/m1/s1.
What are the key properties of 2-[(1R)-1-amino-2-methylpropyl]-5-chloro-4-fluorophenol?
2-[(1R)-1-amino-2-methylpropyl]-5-chloro-4-fluorophenol has a molecular weight of 217.67 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-2-methylpropyl]-5-chloro-4-fluorophenol is sourced from PubChem (CID 130699208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).