1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine

C11H16FNO — CID 82720815

IUPAC1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
SMILESCC(C)(C)ONCc1ccc(F)cc1
InChIInChI=1S/C11H16FNO/c1-11(2,3)14-13-8-9-4-6-10(12)7-5-9/h4-7,13H,8H2,1-3H3
InChIKeyBBSNTNHHWIZHGV-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.65
Rot. Bonds3

About 1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine

1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine (PubChem CID 82720815) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
PubChem CID82720815
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
SMILESCC(C)(C)ONCc1ccc(F)cc1
InChIInChI=1S/C11H16FNO/c1-11(2,3)14-13-8-9-4-6-10(12)7-5-9/h4-7,13H,8H2,1-3H3
InChIKeyBBSNTNHHWIZHGV-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.65
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

1-(4-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720707
1-(4-cyclopropylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720184
N,N-diethyl-4-[[(2-methylpropan-2-yl)oxyamino]methyl]aniline
CID 82720600
N-[(4-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 14599999
4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337
1-[3-(methoxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720712
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481
1-(4-methyl-3-nitrophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720069
N-[(4-tert-butylphenyl)methyl]-2-(4-fluorophenoxy)ethanamine
CID 39425420
N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)aniline
CID 83961111
4-fluoro-N-[(4-heptoxyphenyl)methyl]aniline
CID 54796471
4-fluoro-N-[(4-propoxyphenyl)methyl]aniline
CID 40650179

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine (CID 82720815) is 1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine is CC(C)(C)ONCc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
The InChIKey is BBSNTNHHWIZHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-11(2,3)14-13-8-9-4-6-10(12)7-5-9/h4-7,13H,8H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine has a molecular weight of 197.25 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine is sourced from PubChem (CID 82720815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).