1-fluoro-4-methoxy-2-methylbenzene;methanamine

C9H14FNO — CID 142516240

IUPAC1-fluoro-4-methoxy-2-methylbenzene;methanamine
SMILESCN.COc1ccc(F)c(C)c1
InChIInChI=1S/C8H9FO.CH5N/c1-6-5-7(10-2)3-4-8(6)9;1-2/h3-5H,1-2H3;2H2,1H3
InChIKeyQWEKDHVJOCUAHP-UHFFFAOYSA-N
MW171.21 g/mol
LogP1.72
Rot. Bonds1

About 1-fluoro-4-methoxy-2-methylbenzene;methanamine

1-fluoro-4-methoxy-2-methylbenzene;methanamine (PubChem CID 142516240) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is 1-fluoro-4-methoxy-2-methylbenzene;methanamine.

Molecular Properties

Compound Name1-fluoro-4-methoxy-2-methylbenzene;methanamine
PubChem CID142516240
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC Name1-fluoro-4-methoxy-2-methylbenzene;methanamine
SMILESCN.COc1ccc(F)c(C)c1
InChIInChI=1S/C8H9FO.CH5N/c1-6-5-7(10-2)3-4-8(6)9;1-2/h3-5H,1-2H3;2H2,1H3
InChIKeyQWEKDHVJOCUAHP-UHFFFAOYSA-N
XLogP1.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 123252856
4-fluoro-1-N-(4-methoxy-2-methylphenyl)-5-methylbenzene-1,2-diamine
CID 103590332
(2-fluoro-5-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 62514630
2-fluoro-4-methoxyaniline
CID 3756383
ethane;1-fluoro-4-(2-methoxyethoxy)-2-methylbenzene
CID 145070405
(2-fluoro-5-methoxyphenyl)hydrazine
CID 34175304
(2,5-difluoro-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 102882947
2-(4-fluoro-3-methylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672406
ethene;4-methoxy-1,2-dimethylbenzene
CID 145003805
(1S)-1-(2-fluoro-5-methoxyphenyl)ethanamine
CID 55253284
(2,4-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 62802132
1-(2,6-difluoro-3-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 82797199

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methoxy-2-methylbenzene;methanamine?
The IUPAC name of 1-fluoro-4-methoxy-2-methylbenzene;methanamine (CID 142516240) is 1-fluoro-4-methoxy-2-methylbenzene;methanamine.
What is the SMILES notation for 1-fluoro-4-methoxy-2-methylbenzene;methanamine?
The canonical SMILES for 1-fluoro-4-methoxy-2-methylbenzene;methanamine is CN.COc1ccc(F)c(C)c1.
What is the InChIKey of 1-fluoro-4-methoxy-2-methylbenzene;methanamine?
The InChIKey is QWEKDHVJOCUAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO.CH5N/c1-6-5-7(10-2)3-4-8(6)9;1-2/h3-5H,1-2H3;2H2,1H3.
What are the key properties of 1-fluoro-4-methoxy-2-methylbenzene;methanamine?
1-fluoro-4-methoxy-2-methylbenzene;methanamine has a molecular weight of 171.21 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methoxy-2-methylbenzene;methanamine is sourced from PubChem (CID 142516240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).