1-ethoxy-3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol

C16H26FNO3 — CID 107688740

IUPAC1-ethoxy-3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol
SMILESCCOCC(O)COc1ccc(CNCC(C)C)cc1F
InChIInChI=1S/C16H26FNO3/c1-4-20-10-14(19)11-21-16-6-5-13(7-15(16)17)9-18-8-12(2)3/h5-7,12,14,18-19H,4,8-11H2,1-3H3
InChIKeyYOTBGHKEQKEKOX-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.35
Rot. Bonds10

About 1-ethoxy-3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol

1-ethoxy-3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol (PubChem CID 107688740) has the molecular formula C16H26FNO3 and a molecular weight of 299.39 g/mol. Its IUPAC name is 1-ethoxy-3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol
PubChem CID107688740
Molecular FormulaC16H26FNO3
Molecular Weight299.39 g/mol
Exact Mass299.19
IUPAC Name1-ethoxy-3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol
SMILESCCOCC(O)COc1ccc(CNCC(C)C)cc1F
InChIInChI=1S/C16H26FNO3/c1-4-20-10-14(19)11-21-16-6-5-13(7-15(16)17)9-18-8-12(2)3/h5-7,12,14,18-19H,4,8-11H2,1-3H3
InChIKeyYOTBGHKEQKEKOX-UHFFFAOYSA-N
XLogP2.35
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-3-ethoxypropan-2-ol
CID 107688365
N-[[4-(2-ethoxyethoxy)-3-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107688883
N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107688798
1-[(3,4-difluorophenyl)methylamino]-3-ethoxypropan-2-ol
CID 63933180
N-[[3-fluoro-4-(2-fluoroethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107689008
1-ethoxy-3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol
CID 115955302
N-[[3-fluoro-4-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107688715
3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propanamide
CID 107688867
N-[(3-fluoro-4-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405486
N-[[4-(2,2-difluoroethoxy)-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63058247
2-[4-(ethylaminomethyl)-2-fluorophenoxy]-N-(2-methylpropyl)acetamide
CID 107687125
3-[2,6-difluoro-4-[(2-methylpropylamino)methyl]phenoxy]propane-1,2-diol
CID 82850259

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol (CID 107688740) is 1-ethoxy-3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol is CCOCC(O)COc1ccc(CNCC(C)C)cc1F.
What is the InChIKey of 1-ethoxy-3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol?
The InChIKey is YOTBGHKEQKEKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO3/c1-4-20-10-14(19)11-21-16-6-5-13(7-15(16)17)9-18-8-12(2)3/h5-7,12,14,18-19H,4,8-11H2,1-3H3.
What are the key properties of 1-ethoxy-3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol?
1-ethoxy-3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol has a molecular weight of 299.39 g/mol, XLogP of 2.35, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol is sourced from PubChem (CID 107688740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).