4-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]ethyl]-3-fluorophenol

C14H20FNO3 — CID 107715527

IUPAC4-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]ethyl]-3-fluorophenol
SMILESCC(NCC1COC(C)(C)O1)c1ccc(O)cc1F
InChIInChI=1S/C14H20FNO3/c1-9(12-5-4-10(17)6-13(12)15)16-7-11-8-18-14(2,3)19-11/h4-6,9,11,16-17H,7-8H2,1-3H3
InChIKeyZAFAWWYPZZGGPQ-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.33
Rot. Bonds4

About 4-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]ethyl]-3-fluorophenol

4-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]ethyl]-3-fluorophenol (PubChem CID 107715527) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]ethyl]-3-fluorophenol.

Molecular Properties

Compound Name4-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]ethyl]-3-fluorophenol
PubChem CID107715527
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name4-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]ethyl]-3-fluorophenol
SMILESCC(NCC1COC(C)(C)O1)c1ccc(O)cc1F
InChIInChI=1S/C14H20FNO3/c1-9(12-5-4-10(17)6-13(12)15)16-7-11-8-18-14(2,3)19-11/h4-6,9,11,16-17H,7-8H2,1-3H3
InChIKeyZAFAWWYPZZGGPQ-UHFFFAOYSA-N
XLogP2.33
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-{[(Tetrahydro-furan-2-ylmethyl)-amino]-methyl}-phenol
CID 3160561
4-(Morpholin-3-yl)phenolhydrochloride
CID 165753304
2-[1-(2,2-Dimethoxyethylamino)-2,2,2-trifluoro-ethyl]phenol
CID 23656188
4-[(2,2-Dimethyl-1,3-oxazolidin-4-yl)methyl]-2-fluorophenol
CID 140997337
(1S)-1-[4-(difluoromethoxy)phenyl]-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]ethanamine
CID 167249099
1-[4-(difluoromethoxy)phenyl]-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]ethanamine
CID 175563547
(1S)-1-[4-(difluoromethoxy)phenyl]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]ethanamine
CID 175563548
Methyl 3-[[1-(4-hydroxyphenyl)-2-methoxyethyl]amino]propanoate
CID 90875555
(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(4-hydroxyphenyl)pyrrolidin-1-ium-3,4-diol
CID 135038183
(1R)-1-(3-fluoro-4-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
CID 28489072
(1S)-1-(3-fluoro-4-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
CID 28489074
(1R)-1-(3-fluoro-4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 28489076

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]ethyl]-3-fluorophenol?
The IUPAC name of 4-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]ethyl]-3-fluorophenol (CID 107715527) is 4-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]ethyl]-3-fluorophenol.
What is the SMILES notation for 4-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]ethyl]-3-fluorophenol?
The canonical SMILES for 4-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]ethyl]-3-fluorophenol is CC(NCC1COC(C)(C)O1)c1ccc(O)cc1F.
What is the InChIKey of 4-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]ethyl]-3-fluorophenol?
The InChIKey is ZAFAWWYPZZGGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-9(12-5-4-10(17)6-13(12)15)16-7-11-8-18-14(2,3)19-11/h4-6,9,11,16-17H,7-8H2,1-3H3.
What are the key properties of 4-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]ethyl]-3-fluorophenol?
4-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]ethyl]-3-fluorophenol has a molecular weight of 269.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]ethyl]-3-fluorophenol is sourced from PubChem (CID 107715527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).