4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-fluorophenol

C14H22FNO2 — CID 114114858

IUPAC4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-fluorophenol
SMILESCCOCC(NCc1ccc(O)c(F)c1)C(C)C
InChIInChI=1S/C14H22FNO2/c1-4-18-9-13(10(2)3)16-8-11-5-6-14(17)12(15)7-11/h5-7,10,13,16-17H,4,8-9H2,1-3H3
InChIKeyKUJWIPFAZHUZQQ-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.68
Rot. Bonds7

About 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-fluorophenol

4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-fluorophenol (PubChem CID 114114858) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-fluorophenol
PubChem CID114114858
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-fluorophenol
SMILESCCOCC(NCc1ccc(O)c(F)c1)C(C)C
InChIInChI=1S/C14H22FNO2/c1-4-18-9-13(10(2)3)16-8-11-5-6-14(17)12(15)7-11/h5-7,10,13,16-17H,4,8-9H2,1-3H3
InChIKeyKUJWIPFAZHUZQQ-UHFFFAOYSA-N
XLogP2.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-fluorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-methoxyphenol
CID 103271015
N-[(4-chlorophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271048
N-[(3,4-dibromophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 114114869
tert-butyl N-[2-[(3-fluoro-4-hydroxyphenyl)methylamino]-3-methylbutyl]carbamate
CID 107686114
2-fluoro-4-[(hexan-2-ylamino)methyl]phenol
CID 115722402
4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-N,N-dimethylaniline
CID 103271170
2-fluoro-4-[(heptan-2-ylamino)methyl]phenol
CID 103784673
4-[(1-cyclopropylethylamino)methyl]-2-fluorophenol
CID 115677224
2-fluoro-4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol
CID 96934858
N-[(5-bromo-2-fluorophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271161
2-fluoro-4-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]phenol
CID 107685692
4-[(2,3-dimethylbutylamino)methyl]-2-fluorophenol
CID 107685805

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-fluorophenol?
The IUPAC name of 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-fluorophenol (CID 114114858) is 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-fluorophenol.
What is the SMILES notation for 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-fluorophenol?
The canonical SMILES for 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-fluorophenol is CCOCC(NCc1ccc(O)c(F)c1)C(C)C.
What is the InChIKey of 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-fluorophenol?
The InChIKey is KUJWIPFAZHUZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-4-18-9-13(10(2)3)16-8-11-5-6-14(17)12(15)7-11/h5-7,10,13,16-17H,4,8-9H2,1-3H3.
What are the key properties of 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-fluorophenol?
4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-fluorophenol has a molecular weight of 255.33 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-fluorophenol is sourced from PubChem (CID 114114858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).