1-(2-fluoro-5-methylphenyl)-2-propoxyethanamine

C12H18FNO — CID 62789887

IUPAC1-(2-fluoro-5-methylphenyl)-2-propoxyethanamine
SMILESCCCOCC(N)c1cc(C)ccc1F
InChIInChI=1S/C12H18FNO/c1-3-6-15-8-12(14)10-7-9(2)4-5-11(10)13/h4-5,7,12H,3,6,8,14H2,1-2H3
InChIKeyHYNJJKZPEQSWKY-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.56
Rot. Bonds5

About 1-(2-fluoro-5-methylphenyl)-2-propoxyethanamine

1-(2-fluoro-5-methylphenyl)-2-propoxyethanamine (PubChem CID 62789887) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-2-propoxyethanamine.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-2-propoxyethanamine
PubChem CID62789887
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name1-(2-fluoro-5-methylphenyl)-2-propoxyethanamine
SMILESCCCOCC(N)c1cc(C)ccc1F
InChIInChI=1S/C12H18FNO/c1-3-6-15-8-12(14)10-7-9(2)4-5-11(10)13/h4-5,7,12H,3,6,8,14H2,1-2H3
InChIKeyHYNJJKZPEQSWKY-UHFFFAOYSA-N
XLogP2.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(2-fluoro-5-methylphenyl)butane-1,4-diamine
CID 171204011
3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine
CID 62790891
1-[5-(2-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634413
(1R)-1-(2-fluoro-5-methylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171204039
(3R)-3-amino-3-(2-fluoro-5-methylphenyl)propan-1-ol;hydrochloride
CID 171204045
(3R)-3-amino-3-(2-fluoro-5-methylphenyl)propanenitrile
CID 55275953
methyl 3-amino-3-(2-fluoro-5-methylphenyl)propanoate
CID 103846565
N',N'-diethyl-1-(2-fluoro-5-methylphenyl)propane-1,3-diamine
CID 79086739
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propan-1-amine
CID 105143129
(1R)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072341
(1S)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072344
1-(2,4-dimethylphenyl)-3-propoxypropan-1-amine
CID 105145254

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-2-propoxyethanamine?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-2-propoxyethanamine (CID 62789887) is 1-(2-fluoro-5-methylphenyl)-2-propoxyethanamine.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-2-propoxyethanamine?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-2-propoxyethanamine is CCCOCC(N)c1cc(C)ccc1F.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-2-propoxyethanamine?
The InChIKey is HYNJJKZPEQSWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-3-6-15-8-12(14)10-7-9(2)4-5-11(10)13/h4-5,7,12H,3,6,8,14H2,1-2H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-2-propoxyethanamine?
1-(2-fluoro-5-methylphenyl)-2-propoxyethanamine has a molecular weight of 211.28 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-2-propoxyethanamine is sourced from PubChem (CID 62789887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).