2-[(R)-amino(cyclopropyl)methyl]-6-chloro-3-fluorophenol

C10H11ClFNO — CID 130748681

IUPAC2-[(R)-amino(cyclopropyl)methyl]-6-chloro-3-fluorophenol
SMILESN[C@@H](c1c(F)ccc(Cl)c1O)C1CC1
InChIInChI=1S/C10H11ClFNO/c11-6-3-4-7(12)8(10(6)14)9(13)5-1-2-5/h3-5,9,14H,1-2,13H2/t9-/m1/s1
InChIKeyANRHENPKNBKVJM-SECBINFHSA-N
MW215.66 g/mol
LogP2.59
Rot. Bonds2

About 2-[(R)-amino(cyclopropyl)methyl]-6-chloro-3-fluorophenol

2-[(R)-amino(cyclopropyl)methyl]-6-chloro-3-fluorophenol (PubChem CID 130748681) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is 2-[(R)-amino(cyclopropyl)methyl]-6-chloro-3-fluorophenol.

Molecular Properties

Compound Name2-[(R)-amino(cyclopropyl)methyl]-6-chloro-3-fluorophenol
PubChem CID130748681
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC Name2-[(R)-amino(cyclopropyl)methyl]-6-chloro-3-fluorophenol
SMILESN[C@@H](c1c(F)ccc(Cl)c1O)C1CC1
InChIInChI=1S/C10H11ClFNO/c11-6-3-4-7(12)8(10(6)14)9(13)5-1-2-5/h3-5,9,14H,1-2,13H2/t9-/m1/s1
InChIKeyANRHENPKNBKVJM-SECBINFHSA-N
XLogP2.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 52.59
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

2-[(1S)-1-amino-2-cyclopropylethyl]-6-chloro-3-fluorophenol
CID 131417981
2-[(R)-amino(cyclopropyl)methyl]-3-fluoro-6-methylphenol;hydrochloride
CID 171257306
2-[(1R)-1-amino-2-cyclopropylethyl]-6-chloro-3-fluorophenol;hydrochloride
CID 171259217
2-[(R)-amino(oxan-4-yl)methyl]-3,6-difluorophenol
CID 171256503
3-[(R)-amino(cyclopropyl)methyl]-4-fluoro-2-hydroxybenzoic acid
CID 171258705
2-[(R)-amino(cyclobutyl)methyl]-3-fluoro-6-methylphenol
CID 131448433
2-[(1R)-1-amino-2,2-difluoroethyl]-6-chloro-3-fluorophenol;hydrochloride
CID 171255857
2-[(R)-amino(cyclopropyl)methyl]-6-bromo-3-chlorophenol;hydrochloride
CID 171256340
(S)-(4-chloro-2,6-difluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 171230540
2-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-chloro-3-fluorophenol;hydrochloride
CID 171255856
2-[(R)-amino(oxan-4-yl)methyl]-6-bromo-3-fluorophenol;hydrochloride
CID 171256855
(S)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine
CID 130707474

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(cyclopropyl)methyl]-6-chloro-3-fluorophenol?
The IUPAC name of 2-[(R)-amino(cyclopropyl)methyl]-6-chloro-3-fluorophenol (CID 130748681) is 2-[(R)-amino(cyclopropyl)methyl]-6-chloro-3-fluorophenol.
What is the SMILES notation for 2-[(R)-amino(cyclopropyl)methyl]-6-chloro-3-fluorophenol?
The canonical SMILES for 2-[(R)-amino(cyclopropyl)methyl]-6-chloro-3-fluorophenol is N[C@@H](c1c(F)ccc(Cl)c1O)C1CC1.
What is the InChIKey of 2-[(R)-amino(cyclopropyl)methyl]-6-chloro-3-fluorophenol?
The InChIKey is ANRHENPKNBKVJM-SECBINFHSA-N. The full InChI is InChI=1S/C10H11ClFNO/c11-6-3-4-7(12)8(10(6)14)9(13)5-1-2-5/h3-5,9,14H,1-2,13H2/t9-/m1/s1.
What are the key properties of 2-[(R)-amino(cyclopropyl)methyl]-6-chloro-3-fluorophenol?
2-[(R)-amino(cyclopropyl)methyl]-6-chloro-3-fluorophenol has a molecular weight of 215.66 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino(cyclopropyl)methyl]-6-chloro-3-fluorophenol is sourced from PubChem (CID 130748681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).