2-[benzyl(methoxy)amino]-1-(2-fluorophenyl)ethanol

C16H18FNO2 — CID 110019651

IUPAC2-[benzyl(methoxy)amino]-1-(2-fluorophenyl)ethanol
SMILESCON(Cc1ccccc1)CC(O)c1ccccc1F
InChIInChI=1S/C16H18FNO2/c1-20-18(11-13-7-3-2-4-8-13)12-16(19)14-9-5-6-10-15(14)17/h2-10,16,19H,11-12H2,1H3
InChIKeyNLDLDIRFOUWTSX-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.92
Rot. Bonds6

About 2-[benzyl(methoxy)amino]-1-(2-fluorophenyl)ethanol

2-[benzyl(methoxy)amino]-1-(2-fluorophenyl)ethanol (PubChem CID 110019651) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-[benzyl(methoxy)amino]-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[benzyl(methoxy)amino]-1-(2-fluorophenyl)ethanol
PubChem CID110019651
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name2-[benzyl(methoxy)amino]-1-(2-fluorophenyl)ethanol
SMILESCON(Cc1ccccc1)CC(O)c1ccccc1F
InChIInChI=1S/C16H18FNO2/c1-20-18(11-13-7-3-2-4-8-13)12-16(19)14-9-5-6-10-15(14)17/h2-10,16,19H,11-12H2,1H3
InChIKeyNLDLDIRFOUWTSX-UHFFFAOYSA-N
XLogP2.92
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenyl)-3-phenylpropan-1-ol
CID 62502803
methyl (2R,3S)-2-(dibenzylamino)-3-(2-fluorophenyl)-3-hydroxypropanoate
CID 101112778
1-(2-fluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol
CID 111103240
2-[bis(cyclopropylmethyl)amino]-1-(2-fluorophenyl)ethanol
CID 103670661
(1S)-2-chloro-1-(2-fluorophenyl)ethanol
CID 83001661
2-[benzyl(methyl)amino]-2-(2-fluorophenyl)acetic acid
CID 84751337
3-(dimethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62645456
1-(2-fluorophenyl)-2-[2-hydroxyethyl(propyl)amino]ethanol
CID 56811844
(1S)-2-bromo-1-(2-fluorophenyl)ethanol
CID 24862084
2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-fluorophenyl)ethanol
CID 110887728
1-(2-fluorophenyl)-3-[2-hydroxypropyl(methyl)amino]propan-1-ol
CID 62630697
(1R)-2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-difluorophenyl)ethanol
CID 94957732

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methoxy)amino]-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-[benzyl(methoxy)amino]-1-(2-fluorophenyl)ethanol (CID 110019651) is 2-[benzyl(methoxy)amino]-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-[benzyl(methoxy)amino]-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-[benzyl(methoxy)amino]-1-(2-fluorophenyl)ethanol is CON(Cc1ccccc1)CC(O)c1ccccc1F.
What is the InChIKey of 2-[benzyl(methoxy)amino]-1-(2-fluorophenyl)ethanol?
The InChIKey is NLDLDIRFOUWTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-20-18(11-13-7-3-2-4-8-13)12-16(19)14-9-5-6-10-15(14)17/h2-10,16,19H,11-12H2,1H3.
What are the key properties of 2-[benzyl(methoxy)amino]-1-(2-fluorophenyl)ethanol?
2-[benzyl(methoxy)amino]-1-(2-fluorophenyl)ethanol has a molecular weight of 275.32 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methoxy)amino]-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 110019651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).