2-[3-(fluoromethyl)-2-methoxyphenyl]propan-1-amine

C11H16FNO — CID 84667736

IUPAC2-[3-(fluoromethyl)-2-methoxyphenyl]propan-1-amine
SMILESCOc1c(CF)cccc1C(C)CN
InChIInChI=1S/C11H16FNO/c1-8(7-13)10-5-3-4-9(6-12)11(10)14-2/h3-5,8H,6-7,13H2,1-2H3
InChIKeyLWZNZFYODKLSFL-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.23
Rot. Bonds4

About 2-[3-(fluoromethyl)-2-methoxyphenyl]propan-1-amine

2-[3-(fluoromethyl)-2-methoxyphenyl]propan-1-amine (PubChem CID 84667736) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-[3-(fluoromethyl)-2-methoxyphenyl]propan-1-amine.

Molecular Properties

Compound Name2-[3-(fluoromethyl)-2-methoxyphenyl]propan-1-amine
PubChem CID84667736
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name2-[3-(fluoromethyl)-2-methoxyphenyl]propan-1-amine
SMILESCOc1c(CF)cccc1C(C)CN
InChIInChI=1S/C11H16FNO/c1-8(7-13)10-5-3-4-9(6-12)11(10)14-2/h3-5,8H,6-7,13H2,1-2H3
InChIKeyLWZNZFYODKLSFL-UHFFFAOYSA-N
XLogP2.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxy-3-propan-2-ylphenyl)propan-1-amine
CID 117296766
2-(3-fluoro-2-methoxyphenyl)propan-1-amine;hydrobromide
CID 117414447
2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 3029784
2-[2-fluoro-3-(methoxymethyl)phenyl]propan-1-amine
CID 117287255
2-(5-fluoronaphthalen-1-yl)propan-1-amine
CID 105455459
2-(3-fluoro-2,4-dimethoxyphenyl)propan-1-amine
CID 84782781
2-[3-chloro-2-(fluoromethyl)phenyl]propan-1-amine
CID 117290539
2-(3-bromo-4-fluoro-2-methoxyphenyl)propan-1-amine
CID 83902053
2-(1-aminopropan-2-yl)-6-(methoxymethyl)phenol
CID 83879383
2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]propan-1-amine
CID 117330427
2-(2-cyclobutyloxy-3-methoxyphenyl)propan-1-amine
CID 117343383
cerium(3+);2-naphthalen-1-ylpropan-1-amine;trichloride;hydrate
CID 159849461

Frequently Asked Questions

What is the IUPAC name of 2-[3-(fluoromethyl)-2-methoxyphenyl]propan-1-amine?
The IUPAC name of 2-[3-(fluoromethyl)-2-methoxyphenyl]propan-1-amine (CID 84667736) is 2-[3-(fluoromethyl)-2-methoxyphenyl]propan-1-amine.
What is the SMILES notation for 2-[3-(fluoromethyl)-2-methoxyphenyl]propan-1-amine?
The canonical SMILES for 2-[3-(fluoromethyl)-2-methoxyphenyl]propan-1-amine is COc1c(CF)cccc1C(C)CN.
What is the InChIKey of 2-[3-(fluoromethyl)-2-methoxyphenyl]propan-1-amine?
The InChIKey is LWZNZFYODKLSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-8(7-13)10-5-3-4-9(6-12)11(10)14-2/h3-5,8H,6-7,13H2,1-2H3.
What are the key properties of 2-[3-(fluoromethyl)-2-methoxyphenyl]propan-1-amine?
2-[3-(fluoromethyl)-2-methoxyphenyl]propan-1-amine has a molecular weight of 197.25 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(fluoromethyl)-2-methoxyphenyl]propan-1-amine is sourced from PubChem (CID 84667736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).