1-[2-[[(2-fluoro-4-hydroxyphenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-hydroxyethanone

C15H19FN2O3 — CID 71011103

IUPAC1-[2-[[(2-fluoro-4-hydroxyphenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-hydroxyethanone
SMILESO=C(CO)N1CC2CC2C1CNCc1ccc(O)cc1F
InChIInChI=1S/C15H19FN2O3/c16-13-4-11(20)2-1-9(13)5-17-6-14-12-3-10(12)7-18(14)15(21)8-19/h1-2,4,10,12,14,17,19-20H,3,5-8H2
InChIKeyNHZUWGOEWIMTMJ-UHFFFAOYSA-N
MW294.33 g/mol
LogP0.46
Rot. Bonds5

About 1-[2-[[(2-fluoro-4-hydroxyphenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-hydroxyethanone

1-[2-[[(2-fluoro-4-hydroxyphenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-hydroxyethanone (PubChem CID 71011103) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-[2-[[(2-fluoro-4-hydroxyphenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[2-[[(2-fluoro-4-hydroxyphenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-hydroxyethanone
PubChem CID71011103
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name1-[2-[[(2-fluoro-4-hydroxyphenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-hydroxyethanone
SMILESO=C(CO)N1CC2CC2C1CNCc1ccc(O)cc1F
InChIInChI=1S/C15H19FN2O3/c16-13-4-11(20)2-1-9(13)5-17-6-14-12-3-10(12)7-18(14)15(21)8-19/h1-2,4,10,12,14,17,19-20H,3,5-8H2
InChIKeyNHZUWGOEWIMTMJ-UHFFFAOYSA-N
XLogP0.46
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-[[(2-fluoro-4-hydroxyphenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-hydroxyethanone with MolForge

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Related Compounds

1-(4-chlorocyclohexyl)-N-[(4-chloro-2-fluorophenyl)methyl]methanamine
CID 114146496
(1S,2S,5R)-2-[(2-amino-4-fluoroanilino)methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 138596011
(1S,2S,5R)-2-[(5-bromo-2-fluorophenyl)methylcarbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 122439631
N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 114842672
benzyl (2S,5R)-2-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 58908385
4-[[(4-chloro-2-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 114147064
1-cyclopentyl-N-[(2,4-difluorophenyl)methyl]methanamine
CID 43317286
N-[(4-bromo-2-fluorophenyl)methyl]-1-cyclopropylmethanamine
CID 43364189
(4aS,8aR)-N-[(2,4-dihydroxyphenyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 122561212
4-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzene-1,3-diol
CID 78943189
4-[[(2,4-dihydroxyphenyl)methylamino]methyl]benzene-1,3-diol
CID 154092442
3-fluoro-4-(3-methylbutyl)phenol
CID 59755829

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(2-fluoro-4-hydroxyphenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-hydroxyethanone?
The IUPAC name of 1-[2-[[(2-fluoro-4-hydroxyphenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-hydroxyethanone (CID 71011103) is 1-[2-[[(2-fluoro-4-hydroxyphenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[2-[[(2-fluoro-4-hydroxyphenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[2-[[(2-fluoro-4-hydroxyphenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-hydroxyethanone is O=C(CO)N1CC2CC2C1CNCc1ccc(O)cc1F.
What is the InChIKey of 1-[2-[[(2-fluoro-4-hydroxyphenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-hydroxyethanone?
The InChIKey is NHZUWGOEWIMTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-13-4-11(20)2-1-9(13)5-17-6-14-12-3-10(12)7-18(14)15(21)8-19/h1-2,4,10,12,14,17,19-20H,3,5-8H2.
What are the key properties of 1-[2-[[(2-fluoro-4-hydroxyphenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-hydroxyethanone?
1-[2-[[(2-fluoro-4-hydroxyphenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-hydroxyethanone has a molecular weight of 294.33 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(2-fluoro-4-hydroxyphenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-hydroxyethanone is sourced from PubChem (CID 71011103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).