2-[(R)-amino(cyclopropyl)methyl]-4-fluoro-6-methylphenol;hydrochloride

C11H15ClFNO — CID 171205419

IUPAC2-[(R)-amino(cyclopropyl)methyl]-4-fluoro-6-methylphenol;hydrochloride
SMILESCc1cc(F)cc([C@H](N)C2CC2)c1O.Cl
InChIInChI=1S/C11H14FNO.ClH/c1-6-4-8(12)5-9(11(6)14)10(13)7-2-3-7;/h4-5,7,10,14H,2-3,13H2,1H3;1H/t10-;/m1./s1
InChIKeyNHTRECFXSFEXSN-HNCPQSOCSA-N
MW231.70 g/mol
LogP2.67
Rot. Bonds2

About 2-[(R)-amino(cyclopropyl)methyl]-4-fluoro-6-methylphenol;hydrochloride

2-[(R)-amino(cyclopropyl)methyl]-4-fluoro-6-methylphenol;hydrochloride (PubChem CID 171205419) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 2-[(R)-amino(cyclopropyl)methyl]-4-fluoro-6-methylphenol;hydrochloride.

Molecular Properties

Compound Name2-[(R)-amino(cyclopropyl)methyl]-4-fluoro-6-methylphenol;hydrochloride
PubChem CID171205419
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name2-[(R)-amino(cyclopropyl)methyl]-4-fluoro-6-methylphenol;hydrochloride
SMILESCc1cc(F)cc([C@H](N)C2CC2)c1O.Cl
InChIInChI=1S/C11H14FNO.ClH/c1-6-4-8(12)5-9(11(6)14)10(13)7-2-3-7;/h4-5,7,10,14H,2-3,13H2,1H3;1H/t10-;/m1./s1
InChIKeyNHTRECFXSFEXSN-HNCPQSOCSA-N
XLogP2.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.67
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-[(S)-amino(cyclopropyl)methyl]-4-fluoro-6-methylphenol
CID 130752620
2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-methylphenol;hydrochloride
CID 171224995
2-[(R)-amino(cyclohexyl)methyl]-4-fluoro-6-methylphenol;hydrochloride
CID 171205422
2-[(R)-amino(cyclopropyl)methyl]-6-fluoro-4-methylphenol;hydrochloride
CID 171257092
2-amino-6-[(R)-amino(cyclobutyl)methyl]-4-fluorophenol;hydrochloride
CID 171257260
2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-methoxyphenol;hydrochloride
CID 171256025
2-[(1S)-1-amino-2-hydroxyethyl]-4-fluoro-6-methylphenol;hydrochloride
CID 171205435
2-amino-6-[(S)-amino(cyclohexyl)methyl]-4-fluorophenol
CID 171253920
2-[(1R)-1-aminobutyl]-4-fluoro-6-methylphenol;hydrochloride
CID 171205406
2-[(S)-amino(cyclopropyl)methyl]-4-bromo-6-fluorophenol;hydrochloride
CID 171253387
2-amino-6-[(R)-amino(oxan-4-yl)methyl]-4-fluorophenol
CID 171257268
methyl (2R)-2-amino-2-(5-fluoro-2-hydroxy-3-methylphenyl)acetate;hydrochloride
CID 171225007

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(cyclopropyl)methyl]-4-fluoro-6-methylphenol;hydrochloride?
The IUPAC name of 2-[(R)-amino(cyclopropyl)methyl]-4-fluoro-6-methylphenol;hydrochloride (CID 171205419) is 2-[(R)-amino(cyclopropyl)methyl]-4-fluoro-6-methylphenol;hydrochloride.
What is the SMILES notation for 2-[(R)-amino(cyclopropyl)methyl]-4-fluoro-6-methylphenol;hydrochloride?
The canonical SMILES for 2-[(R)-amino(cyclopropyl)methyl]-4-fluoro-6-methylphenol;hydrochloride is Cc1cc(F)cc([C@H](N)C2CC2)c1O.Cl.
What is the InChIKey of 2-[(R)-amino(cyclopropyl)methyl]-4-fluoro-6-methylphenol;hydrochloride?
The InChIKey is NHTRECFXSFEXSN-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H14FNO.ClH/c1-6-4-8(12)5-9(11(6)14)10(13)7-2-3-7;/h4-5,7,10,14H,2-3,13H2,1H3;1H/t10-;/m1./s1.
What are the key properties of 2-[(R)-amino(cyclopropyl)methyl]-4-fluoro-6-methylphenol;hydrochloride?
2-[(R)-amino(cyclopropyl)methyl]-4-fluoro-6-methylphenol;hydrochloride has a molecular weight of 231.70 g/mol, XLogP of 2.67, 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]-4-fluoro-6-methylphenol;hydrochloride is sourced from PubChem (CID 171205419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).