1-[(2-fluoro-3-methoxyphenyl)methylamino]-2-methylpropan-2-ol

C12H18FNO2 — CID 104791866

IUPAC1-[(2-fluoro-3-methoxyphenyl)methylamino]-2-methylpropan-2-ol
SMILESCOc1cccc(CNCC(C)(C)O)c1F
InChIInChI=1S/C12H18FNO2/c1-12(2,15)8-14-7-9-5-4-6-10(16-3)11(9)13/h4-6,14-15H,7-8H2,1-3H3
InChIKeyNMSKTQJCJISOBI-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.69
Rot. Bonds5

About 1-[(2-fluoro-3-methoxyphenyl)methylamino]-2-methylpropan-2-ol

1-[(2-fluoro-3-methoxyphenyl)methylamino]-2-methylpropan-2-ol (PubChem CID 104791866) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 1-[(2-fluoro-3-methoxyphenyl)methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-fluoro-3-methoxyphenyl)methylamino]-2-methylpropan-2-ol
PubChem CID104791866
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name1-[(2-fluoro-3-methoxyphenyl)methylamino]-2-methylpropan-2-ol
SMILESCOc1cccc(CNCC(C)(C)O)c1F
InChIInChI=1S/C12H18FNO2/c1-12(2,15)8-14-7-9-5-4-6-10(16-3)11(9)13/h4-6,14-15H,7-8H2,1-3H3
InChIKeyNMSKTQJCJISOBI-UHFFFAOYSA-N
XLogP1.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 113453542
2,2,3,3-tetrafluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 106291983
1-(2-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 104791604
N-[(2-fluoro-3-methoxyphenyl)methyl]prop-2-en-1-amine
CID 104791408
N-chloro-1-(2-fluoro-3-methoxyphenyl)methanamine
CID 89169985
2,6-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791540
N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 104791514
1-[(2-fluoro-3-nitrophenyl)methylamino]-2-methylpropan-2-ol
CID 107349234
1-[(2-chloro-3-fluorophenyl)methylamino]-2-methylpropan-2-ol
CID 112652111
N-[(2-fluoro-3-methoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 113453546
N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 104791777
3-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylpropanamide
CID 104791725

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-3-methoxyphenyl)methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(2-fluoro-3-methoxyphenyl)methylamino]-2-methylpropan-2-ol (CID 104791866) is 1-[(2-fluoro-3-methoxyphenyl)methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(2-fluoro-3-methoxyphenyl)methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(2-fluoro-3-methoxyphenyl)methylamino]-2-methylpropan-2-ol is COc1cccc(CNCC(C)(C)O)c1F.
What is the InChIKey of 1-[(2-fluoro-3-methoxyphenyl)methylamino]-2-methylpropan-2-ol?
The InChIKey is NMSKTQJCJISOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-12(2,15)8-14-7-9-5-4-6-10(16-3)11(9)13/h4-6,14-15H,7-8H2,1-3H3.
What are the key properties of 1-[(2-fluoro-3-methoxyphenyl)methylamino]-2-methylpropan-2-ol?
1-[(2-fluoro-3-methoxyphenyl)methylamino]-2-methylpropan-2-ol has a molecular weight of 227.28 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-3-methoxyphenyl)methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 104791866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).