2-[[ethyl(propan-2-yl)amino]methyl]-6-fluorophenol

C12H18FNO — CID 112616088

IUPAC2-[[ethyl(propan-2-yl)amino]methyl]-6-fluorophenol
SMILESCCN(Cc1cccc(F)c1O)C(C)C
InChIInChI=1S/C12H18FNO/c1-4-14(9(2)3)8-10-6-5-7-11(13)12(10)15/h5-7,9,15H,4,8H2,1-3H3
InChIKeyZFXSSDSUSAJALN-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.76
Rot. Bonds4

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

2-[[ethyl(propan-2-yl)amino]methyl]-6-fluorophenol (PubChem CID 112616088) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-[[ethyl(propan-2-yl)amino]methyl]-6-fluorophenol.

Molecular Properties

Compound Name2-[[ethyl(propan-2-yl)amino]methyl]-6-fluorophenol
PubChem CID112616088
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name2-[[ethyl(propan-2-yl)amino]methyl]-6-fluorophenol
SMILESCCN(Cc1cccc(F)c1O)C(C)C
InChIInChI=1S/C12H18FNO/c1-4-14(9(2)3)8-10-6-5-7-11(13)12(10)15/h5-7,9,15H,4,8H2,1-3H3
InChIKeyZFXSSDSUSAJALN-UHFFFAOYSA-N
XLogP2.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-6-fluorophenol
CID 112616142
2-fluoro-6-[[methyl(propan-2-yl)amino]methyl]phenol
CID 112616072
2-[[ethyl(propyl)amino]methyl]-6-fluorophenol
CID 112616084
2-[(N-ethylanilino)methyl]-6-fluorophenol
CID 112616054
2-(bromomethyl)-6-fluorophenol
CID 86086661
4-[[ethyl(propan-2-yl)amino]methyl]-2-fluorophenol
CID 107693937
2-[[bis(2-ethoxyethyl)amino]methyl]-6-fluorophenol
CID 115958911
2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-6-methylphenol
CID 115903809
2-chloro-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]phenol
CID 112553496
2-fluoro-6-[(3-fluoro-N-methylanilino)methyl]phenol
CID 112616216
2-[(N,2-dimethylanilino)methyl]-6-fluorophenol
CID 112616193
2-chloro-6-[[2-hydroxyethyl(propan-2-yl)amino]methyl]phenol
CID 115903812

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(propan-2-yl)amino]methyl]-6-fluorophenol?
The IUPAC name of 2-[[ethyl(propan-2-yl)amino]methyl]-6-fluorophenol (CID 112616088) is 2-[[ethyl(propan-2-yl)amino]methyl]-6-fluorophenol.
What is the SMILES notation for 2-[[ethyl(propan-2-yl)amino]methyl]-6-fluorophenol?
The canonical SMILES for 2-[[ethyl(propan-2-yl)amino]methyl]-6-fluorophenol is CCN(Cc1cccc(F)c1O)C(C)C.
What is the InChIKey of 2-[[ethyl(propan-2-yl)amino]methyl]-6-fluorophenol?
The InChIKey is ZFXSSDSUSAJALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-4-14(9(2)3)8-10-6-5-7-11(13)12(10)15/h5-7,9,15H,4,8H2,1-3H3.
What are the key properties of 2-[[ethyl(propan-2-yl)amino]methyl]-6-fluorophenol?
2-[[ethyl(propan-2-yl)amino]methyl]-6-fluorophenol has a molecular weight of 211.28 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(propan-2-yl)amino]methyl]-6-fluorophenol is sourced from PubChem (CID 112616088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).