2-[[ethyl(propyl)amino]methyl]-6-fluorophenol

C12H18FNO — CID 112616084

IUPAC2-[[ethyl(propyl)amino]methyl]-6-fluorophenol
SMILESCCCN(CC)Cc1cccc(F)c1O
InChIInChI=1S/C12H18FNO/c1-3-8-14(4-2)9-10-6-5-7-11(13)12(10)15/h5-7,15H,3-4,8-9H2,1-2H3
InChIKeyWOVIDNFASMDNEG-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.76
Rot. Bonds5

About 2-[[ethyl(propyl)amino]methyl]-6-fluorophenol

2-[[ethyl(propyl)amino]methyl]-6-fluorophenol (PubChem CID 112616084) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-[[ethyl(propyl)amino]methyl]-6-fluorophenol.

Molecular Properties

Compound Name2-[[ethyl(propyl)amino]methyl]-6-fluorophenol
PubChem CID112616084
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name2-[[ethyl(propyl)amino]methyl]-6-fluorophenol
SMILESCCCN(CC)Cc1cccc(F)c1O
InChIInChI=1S/C12H18FNO/c1-3-8-14(4-2)9-10-6-5-7-11(13)12(10)15/h5-7,15H,3-4,8-9H2,1-2H3
InChIKeyWOVIDNFASMDNEG-UHFFFAOYSA-N
XLogP2.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[bis(2-ethoxyethyl)amino]methyl]-6-fluorophenol
CID 115958911
2-[[ethyl(propan-2-yl)amino]methyl]-6-fluorophenol
CID 112616088
2-[(N-ethylanilino)methyl]-6-fluorophenol
CID 112616054
2-[[3-(diethylamino)propyl-ethylamino]methyl]-6-methylphenol
CID 102999108
2-fluoro-6-[[methyl(propan-2-yl)amino]methyl]phenol
CID 112616072
2-(bromomethyl)-6-fluorophenol
CID 86086661
N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]propan-1-amine
CID 62422900
2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-6-fluorophenol
CID 112616142
2-[(2-hydroxy-3-methylphenyl)methyl-propylamino]-N,N-dimethylacetamide
CID 112553556
3-[2-[[ethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 54970383
N'-[(2,6-difluorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine
CID 2059067
3-[(dibutylamino)methyl]benzene-1,2-diol
CID 15553610

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(propyl)amino]methyl]-6-fluorophenol?
The IUPAC name of 2-[[ethyl(propyl)amino]methyl]-6-fluorophenol (CID 112616084) is 2-[[ethyl(propyl)amino]methyl]-6-fluorophenol.
What is the SMILES notation for 2-[[ethyl(propyl)amino]methyl]-6-fluorophenol?
The canonical SMILES for 2-[[ethyl(propyl)amino]methyl]-6-fluorophenol is CCCN(CC)Cc1cccc(F)c1O.
What is the InChIKey of 2-[[ethyl(propyl)amino]methyl]-6-fluorophenol?
The InChIKey is WOVIDNFASMDNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-3-8-14(4-2)9-10-6-5-7-11(13)12(10)15/h5-7,15H,3-4,8-9H2,1-2H3.
What are the key properties of 2-[[ethyl(propyl)amino]methyl]-6-fluorophenol?
2-[[ethyl(propyl)amino]methyl]-6-fluorophenol has a molecular weight of 211.28 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(propyl)amino]methyl]-6-fluorophenol is sourced from PubChem (CID 112616084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).