2-(3-fluoro-5-methoxy-2-methylphenyl)ethanamine

C10H14FNO — CID 130066698

IUPAC2-(3-fluoro-5-methoxy-2-methylphenyl)ethanamine
SMILESCOc1cc(F)c(C)c(CCN)c1
InChIInChI=1S/C10H14FNO/c1-7-8(3-4-12)5-9(13-2)6-10(7)11/h5-6H,3-4,12H2,1-2H3
InChIKeyQBWMRNWXTCJUDF-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.64
Rot. Bonds3

About 2-(3-fluoro-5-methoxy-2-methylphenyl)ethanamine

2-(3-fluoro-5-methoxy-2-methylphenyl)ethanamine (PubChem CID 130066698) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-(3-fluoro-5-methoxy-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-fluoro-5-methoxy-2-methylphenyl)ethanamine
PubChem CID130066698
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name2-(3-fluoro-5-methoxy-2-methylphenyl)ethanamine
SMILESCOc1cc(F)c(C)c(CCN)c1
InChIInChI=1S/C10H14FNO/c1-7-8(3-4-12)5-9(13-2)6-10(7)11/h5-6H,3-4,12H2,1-2H3
InChIKeyQBWMRNWXTCJUDF-UHFFFAOYSA-N
XLogP1.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-3,5-dimethoxy-2-methylbenzene
CID 22970635
(2,6-difluoro-4-methoxyphenyl)methanamine;hydrochloride
CID 162342560
1-ethyl-2,3-difluoro-5-methoxybenzene
CID 149025981
2-(2-bromo-5-methoxyphenyl)ethanamine
CID 46831332
2-(5-fluoro-2-methoxy-4-methylphenyl)ethanamine
CID 55254656
2-(4-fluoro-3-methoxy-2-methylphenyl)ethanamine
CID 59994575
2-[4-(3,5-dimethoxyphenoxy)-2-methylphenyl]ethanamine
CID 63815390
2-(2-bromo-5-methoxyphenyl)ethanamine;hydrochloride
CID 53493299
2-(2-chloro-5-methoxyphenyl)ethanamine;hydrochloride
CID 11687211
2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine
CID 71493307
2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid
CID 168876495
5-(2-fluoro-4-methoxyphenyl)pentan-1-amine
CID 65305702

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methoxy-2-methylphenyl)ethanamine?
The IUPAC name of 2-(3-fluoro-5-methoxy-2-methylphenyl)ethanamine (CID 130066698) is 2-(3-fluoro-5-methoxy-2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-fluoro-5-methoxy-2-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-fluoro-5-methoxy-2-methylphenyl)ethanamine is COc1cc(F)c(C)c(CCN)c1.
What is the InChIKey of 2-(3-fluoro-5-methoxy-2-methylphenyl)ethanamine?
The InChIKey is QBWMRNWXTCJUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-7-8(3-4-12)5-9(13-2)6-10(7)11/h5-6H,3-4,12H2,1-2H3.
What are the key properties of 2-(3-fluoro-5-methoxy-2-methylphenyl)ethanamine?
2-(3-fluoro-5-methoxy-2-methylphenyl)ethanamine has a molecular weight of 183.23 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methoxy-2-methylphenyl)ethanamine is sourced from PubChem (CID 130066698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).