2-(4-fluoro-3-methoxy-2-methylphenyl)ethanamine

C10H14FNO — CID 59994575

IUPAC2-(4-fluoro-3-methoxy-2-methylphenyl)ethanamine
SMILESCOc1c(F)ccc(CCN)c1C
InChIInChI=1S/C10H14FNO/c1-7-8(5-6-12)3-4-9(11)10(7)13-2/h3-4H,5-6,12H2,1-2H3
InChIKeySFLJXTSWBLSJRN-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.64
Rot. Bonds3

About 2-(4-fluoro-3-methoxy-2-methylphenyl)ethanamine

2-(4-fluoro-3-methoxy-2-methylphenyl)ethanamine (PubChem CID 59994575) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-(4-fluoro-3-methoxy-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-fluoro-3-methoxy-2-methylphenyl)ethanamine
PubChem CID59994575
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name2-(4-fluoro-3-methoxy-2-methylphenyl)ethanamine
SMILESCOc1c(F)ccc(CCN)c1C
InChIInChI=1S/C10H14FNO/c1-7-8(5-6-12)3-4-9(11)10(7)13-2/h3-4H,5-6,12H2,1-2H3
InChIKeySFLJXTSWBLSJRN-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

2-[6-(2-aminoethyl)-1,5-dimethoxynaphthalen-2-yl]ethanamine
CID 170886567
3-(3,6-difluoro-2-methoxyphenyl)propan-1-amine
CID 117290010
2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine
CID 117370209
1-[2-(4-fluoro-2-methoxy-3-methylphenyl)ethyl]cyclopropan-1-amine
CID 105480780
2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine
CID 22238091
3-(6-bromo-3-fluoro-2-methoxyphenyl)propan-1-amine
CID 83902095
2-(3-fluoro-5-methoxy-2-methylphenyl)ethanamine
CID 130066698
2-(4-fluoro-2-methoxyphenyl)ethanamine
CID 55254856
6-(2-aminooxyethyl)-3-fluoro-2-methoxyphenol
CID 117289866
(E)-3-(4-fluoro-2-methoxy-3-methylphenyl)prop-2-en-1-amine
CID 117285356
O-ethyl 4-fluoro-3-methoxy-2-methylbenzenecarbothioate
CID 54395730
3-(6-fluoro-2,3-dimethoxyphenyl)propan-1-amine
CID 117304223

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methoxy-2-methylphenyl)ethanamine?
The IUPAC name of 2-(4-fluoro-3-methoxy-2-methylphenyl)ethanamine (CID 59994575) is 2-(4-fluoro-3-methoxy-2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-fluoro-3-methoxy-2-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-fluoro-3-methoxy-2-methylphenyl)ethanamine is COc1c(F)ccc(CCN)c1C.
What is the InChIKey of 2-(4-fluoro-3-methoxy-2-methylphenyl)ethanamine?
The InChIKey is SFLJXTSWBLSJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-7-8(5-6-12)3-4-9(11)10(7)13-2/h3-4H,5-6,12H2,1-2H3.
What are the key properties of 2-(4-fluoro-3-methoxy-2-methylphenyl)ethanamine?
2-(4-fluoro-3-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-(4-fluoro-3-methoxy-2-methylphenyl)ethanamine is sourced from PubChem (CID 59994575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).