2-(1-amino-3-hydroxypropyl)-3-fluoro-6-methylphenol

C10H14FNO2 — CID 84668827

IUPAC2-(1-amino-3-hydroxypropyl)-3-fluoro-6-methylphenol
SMILESCc1ccc(F)c(C(N)CCO)c1O
InChIInChI=1S/C10H14FNO2/c1-6-2-3-7(11)9(10(6)14)8(12)4-5-13/h2-3,8,13-14H,4-5,12H2,1H3
InChIKeyVWKSZGZZEPWWPK-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.22
Rot. Bonds3

About 2-(1-amino-3-hydroxypropyl)-3-fluoro-6-methylphenol

2-(1-amino-3-hydroxypropyl)-3-fluoro-6-methylphenol (PubChem CID 84668827) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is 2-(1-amino-3-hydroxypropyl)-3-fluoro-6-methylphenol.

Molecular Properties

Compound Name2-(1-amino-3-hydroxypropyl)-3-fluoro-6-methylphenol
PubChem CID84668827
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name2-(1-amino-3-hydroxypropyl)-3-fluoro-6-methylphenol
SMILESCc1ccc(F)c(C(N)CCO)c1O
InChIInChI=1S/C10H14FNO2/c1-6-2-3-7(11)9(10(6)14)8(12)4-5-13/h2-3,8,13-14H,4-5,12H2,1H3
InChIKeyVWKSZGZZEPWWPK-UHFFFAOYSA-N
XLogP1.22
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-1-amino-3-hydroxypropyl]-3-fluoro-6-methylphenol;hydrochloride
CID 171257305
2-[(1R)-1,3-diaminopropyl]-3-fluoro-6-methylphenol;hydrochloride
CID 171257321
2-(1-amino-3-hydroxypropyl)-3,6-difluorophenol
CID 131010821
2-[(1S)-1-amino-3-methylbutyl]-3-fluoro-6-methylphenol
CID 131475415
2-[(1R)-1-amino-3-hydroxypropyl]-4-fluoro-3-methylphenol
CID 55272188
2-[(1S)-1-aminoethyl]-3-fluoro-6-methylphenol;hydrochloride
CID 171253947
2-[(1R)-1-amino-2-cyclopropylethyl]-3-fluoro-6-methylphenol;hydrochloride
CID 171257318
2-[(1R)-1-amino-2,2-difluoroethyl]-3-fluoro-6-methylphenol;hydrochloride
CID 171253959
2-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)acetonitrile
CID 130061204
2-[(1S)-1-amino-3-hydroxypropyl]-3-bromo-6-fluorophenol;hydrochloride
CID 171253035
2-[(1S)-1-aminobutyl]-6-fluoro-3-methylphenol;hydrochloride
CID 171253553
(3R)-3-amino-3-(2-fluoro-6-iodophenyl)propan-1-ol
CID 130706379

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-hydroxypropyl)-3-fluoro-6-methylphenol?
The IUPAC name of 2-(1-amino-3-hydroxypropyl)-3-fluoro-6-methylphenol (CID 84668827) is 2-(1-amino-3-hydroxypropyl)-3-fluoro-6-methylphenol.
What is the SMILES notation for 2-(1-amino-3-hydroxypropyl)-3-fluoro-6-methylphenol?
The canonical SMILES for 2-(1-amino-3-hydroxypropyl)-3-fluoro-6-methylphenol is Cc1ccc(F)c(C(N)CCO)c1O.
What is the InChIKey of 2-(1-amino-3-hydroxypropyl)-3-fluoro-6-methylphenol?
The InChIKey is VWKSZGZZEPWWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-6-2-3-7(11)9(10(6)14)8(12)4-5-13/h2-3,8,13-14H,4-5,12H2,1H3.
What are the key properties of 2-(1-amino-3-hydroxypropyl)-3-fluoro-6-methylphenol?
2-(1-amino-3-hydroxypropyl)-3-fluoro-6-methylphenol has a molecular weight of 199.22 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-hydroxypropyl)-3-fluoro-6-methylphenol is sourced from PubChem (CID 84668827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).