2-[(S)-amino(cyclopropyl)methyl]-4-fluoro-6-methylphenol

C11H14FNO — CID 130752620

IUPAC2-[(S)-amino(cyclopropyl)methyl]-4-fluoro-6-methylphenol
SMILESCc1cc(F)cc([C@@H](N)C2CC2)c1O
InChIInChI=1S/C11H14FNO/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/t10-/m0/s1
InChIKeyHMSGKAWZVHGVHJ-JTQLQIEISA-N
MW195.24 g/mol
LogP2.25
Rot. Bonds2

About 2-[(S)-amino(cyclopropyl)methyl]-4-fluoro-6-methylphenol

2-[(S)-amino(cyclopropyl)methyl]-4-fluoro-6-methylphenol (PubChem CID 130752620) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-[(S)-amino(cyclopropyl)methyl]-4-fluoro-6-methylphenol.

Molecular Properties

Compound Name2-[(S)-amino(cyclopropyl)methyl]-4-fluoro-6-methylphenol
PubChem CID130752620
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name2-[(S)-amino(cyclopropyl)methyl]-4-fluoro-6-methylphenol
SMILESCc1cc(F)cc([C@@H](N)C2CC2)c1O
InChIInChI=1S/C11H14FNO/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/t10-/m0/s1
InChIKeyHMSGKAWZVHGVHJ-JTQLQIEISA-N
XLogP2.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.25
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-[(R)-amino(cyclopropyl)methyl]-4-fluoro-6-methylphenol;hydrochloride
CID 171205419
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-[(S)-amino(cyclohexyl)methyl]-4-fluorophenol
CID 171253920
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-amino-6-[(R)-amino(oxan-4-yl)methyl]-4-fluorophenol
CID 171257268
2-[(1S)-1-amino-2-hydroxyethyl]-4-fluoro-6-methylphenol;hydrochloride
CID 171205435
2-[(R)-amino(cyclopropyl)methyl]-4-bromo-6-fluorophenol
CID 130715689
cyclopentyl-(4-fluoro-2-methylphenyl)methanamine
CID 62790372
(4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanamine
CID 105142839

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-amino(cyclopropyl)methyl]-4-fluoro-6-methylphenol?
The IUPAC name of 2-[(S)-amino(cyclopropyl)methyl]-4-fluoro-6-methylphenol (CID 130752620) is 2-[(S)-amino(cyclopropyl)methyl]-4-fluoro-6-methylphenol.
What is the SMILES notation for 2-[(S)-amino(cyclopropyl)methyl]-4-fluoro-6-methylphenol?
The canonical SMILES for 2-[(S)-amino(cyclopropyl)methyl]-4-fluoro-6-methylphenol is Cc1cc(F)cc([C@@H](N)C2CC2)c1O.
What is the InChIKey of 2-[(S)-amino(cyclopropyl)methyl]-4-fluoro-6-methylphenol?
The InChIKey is HMSGKAWZVHGVHJ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14FNO/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/t10-/m0/s1.
What are the key properties of 2-[(S)-amino(cyclopropyl)methyl]-4-fluoro-6-methylphenol?
2-[(S)-amino(cyclopropyl)methyl]-4-fluoro-6-methylphenol has a molecular weight of 195.24 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-amino(cyclopropyl)methyl]-4-fluoro-6-methylphenol is sourced from PubChem (CID 130752620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).