1-(4-fluorophenyl)-2-methoxyethanamine

C9H12FNO — CID 16794201

IUPAC1-(4-fluorophenyl)-2-methoxyethanamine
SMILESCOCC(N)c1ccc(F)cc1
InChIInChI=1S/C9H12FNO/c1-12-6-9(11)7-2-4-8(10)5-3-7/h2-5,9H,6,11H2,1H3
InChIKeyRJKVATIGJAVHNL-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.47
Rot. Bonds3

About 1-(4-fluorophenyl)-2-methoxyethanamine

1-(4-fluorophenyl)-2-methoxyethanamine (PubChem CID 16794201) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-methoxyethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-methoxyethanamine
PubChem CID16794201
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name1-(4-fluorophenyl)-2-methoxyethanamine
SMILESCOCC(N)c1ccc(F)cc1
InChIInChI=1S/C9H12FNO/c1-12-6-9(11)7-2-4-8(10)5-3-7/h2-5,9H,6,11H2,1H3
InChIKeyRJKVATIGJAVHNL-UHFFFAOYSA-N
XLogP1.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

RO-5263397
CID 56835991
2-Amino-2-phenylethanol
CID 92466
(R)-beta-aminophenethyl alcohol
CID 2724025
(S)-4-(3-Fluorophenyl)-4,5-dihydrooxazol-2-amine
CID 59323617
1-Methoxy-3-phenylpropan-2-amine
CID 5106602
2-Amino-2-phenylethan-1-ol
CID 134797
(4R)-4-(2,4-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966110
(4S)-4-(2,3-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966111
(4S)-4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966114
(4S)-4-(3,4-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966462
4-(2,5-Difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323655
(4S)-4-(4-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323682

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-methoxyethanamine?
The IUPAC name of 1-(4-fluorophenyl)-2-methoxyethanamine (CID 16794201) is 1-(4-fluorophenyl)-2-methoxyethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-methoxyethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-2-methoxyethanamine is COCC(N)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-methoxyethanamine?
The InChIKey is RJKVATIGJAVHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-12-6-9(11)7-2-4-8(10)5-3-7/h2-5,9H,6,11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-methoxyethanamine?
1-(4-fluorophenyl)-2-methoxyethanamine has a molecular weight of 169.20 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-methoxyethanamine is sourced from PubChem (CID 16794201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).