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

C12H18FNO — CID 107693937

IUPAC4-[[ethyl(propan-2-yl)amino]methyl]-2-fluorophenol
SMILESCCN(Cc1ccc(O)c(F)c1)C(C)C
InChIInChI=1S/C12H18FNO/c1-4-14(9(2)3)8-10-5-6-12(15)11(13)7-10/h5-7,9,15H,4,8H2,1-3H3
InChIKeyBCVWJSLPMKIEQY-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.76
Rot. Bonds4

About 4-[[ethyl(propan-2-yl)amino]methyl]-2-fluorophenol

4-[[ethyl(propan-2-yl)amino]methyl]-2-fluorophenol (PubChem CID 107693937) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 4-[[ethyl(propan-2-yl)amino]methyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[[ethyl(propan-2-yl)amino]methyl]-2-fluorophenol
PubChem CID107693937
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name4-[[ethyl(propan-2-yl)amino]methyl]-2-fluorophenol
SMILESCCN(Cc1ccc(O)c(F)c1)C(C)C
InChIInChI=1S/C12H18FNO/c1-4-14(9(2)3)8-10-5-6-12(15)11(13)7-10/h5-7,9,15H,4,8H2,1-3H3
InChIKeyBCVWJSLPMKIEQY-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

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Related Compounds

4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-2-fluorophenol
CID 107694130
2-fluoro-4-[[methyl(propan-2-yl)amino]methyl]phenol
CID 107693926
4-[[ethyl(propan-2-yl)amino]methyl]-2-fluoroaniline
CID 63188681
2-fluoro-4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 107692120
3-[(3,4-difluorophenyl)methyl-ethylamino]butanoic acid
CID 65060898
4-[[ethyl(2-methoxyethyl)amino]methyl]-2-fluorophenol
CID 107694004
4-[[2-(dimethylamino)propylamino]methyl]-2-fluorophenol
CID 107685688
2-chloro-5-[[ethyl(propan-2-yl)amino]methyl]aniline
CID 43265322
2-[[ethyl(propan-2-yl)amino]methyl]-6-fluorophenol
CID 112616088
3-[(4-chloro-3-fluorophenyl)methyl-ethylamino]butanoic acid
CID 65060651
2-[(3-fluoro-4-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 107694011
2-[(3-fluoro-4-methylphenyl)methyl-propan-2-ylamino]acetic acid
CID 65056699

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(propan-2-yl)amino]methyl]-2-fluorophenol?
The IUPAC name of 4-[[ethyl(propan-2-yl)amino]methyl]-2-fluorophenol (CID 107693937) is 4-[[ethyl(propan-2-yl)amino]methyl]-2-fluorophenol.
What is the SMILES notation for 4-[[ethyl(propan-2-yl)amino]methyl]-2-fluorophenol?
The canonical SMILES for 4-[[ethyl(propan-2-yl)amino]methyl]-2-fluorophenol is CCN(Cc1ccc(O)c(F)c1)C(C)C.
What is the InChIKey of 4-[[ethyl(propan-2-yl)amino]methyl]-2-fluorophenol?
The InChIKey is BCVWJSLPMKIEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-4-14(9(2)3)8-10-5-6-12(15)11(13)7-10/h5-7,9,15H,4,8H2,1-3H3.
What are the key properties of 4-[[ethyl(propan-2-yl)amino]methyl]-2-fluorophenol?
4-[[ethyl(propan-2-yl)amino]methyl]-2-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 4-[[ethyl(propan-2-yl)amino]methyl]-2-fluorophenol is sourced from PubChem (CID 107693937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).