1-(3,4-difluorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine

C12H17F2NO — CID 82720284

IUPAC1-(3,4-difluorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCC(NOC(C)(C)C)c1ccc(F)c(F)c1
InChIInChI=1S/C12H17F2NO/c1-8(15-16-12(2,3)4)9-5-6-10(13)11(14)7-9/h5-8,15H,1-4H3
InChIKeyMXEPROJQIFPNGW-UHFFFAOYSA-N
MW229.27 g/mol
LogP3.35
Rot. Bonds3

About 1-(3,4-difluorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine

1-(3,4-difluorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine (PubChem CID 82720284) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
PubChem CID82720284
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name1-(3,4-difluorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCC(NOC(C)(C)C)c1ccc(F)c(F)c1
InChIInChI=1S/C12H17F2NO/c1-8(15-16-12(2,3)4)9-5-6-10(13)11(14)7-9/h5-8,15H,1-4H3
InChIKeyMXEPROJQIFPNGW-UHFFFAOYSA-N
XLogP3.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N-[1-(3,4-difluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81367859
tert-butyl N-[2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]ethyl]carbamate
CID 124575856
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutan-2-amine
CID 43131289
4-[1-[(2-methylpropan-2-yl)oxyamino]ethyl]benzonitrile
CID 82721123
1-(4-ethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82719782
1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(4-methoxyphenyl)thiourea
CID 8656099
N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114838632
2-(tert-butylamino)-N-[1-(3,4-difluorophenyl)ethyl]acetamide
CID 47839633
2,6-dichloro-N-[1-(3,4-difluorophenyl)ethyl]aniline
CID 65468567
1-(3,4-difluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105145538
N-[1-(3,4-difluorophenyl)ethyl]pyrimidin-5-amine
CID 107587984
N-[1-(3,4-difluorophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 43001312

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine (CID 82720284) is 1-(3,4-difluorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine is CC(NOC(C)(C)C)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine?
The InChIKey is MXEPROJQIFPNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-8(15-16-12(2,3)4)9-5-6-10(13)11(14)7-9/h5-8,15H,1-4H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine?
1-(3,4-difluorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine has a molecular weight of 229.27 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine is sourced from PubChem (CID 82720284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).