2-(3-fluoro-4-methoxyphenyl)oxan-4-amine

C12H16FNO2 — CID 65101227

IUPAC2-(3-fluoro-4-methoxyphenyl)oxan-4-amine
SMILESCOc1ccc(C2CC(N)CCO2)cc1F
InChIInChI=1S/C12H16FNO2/c1-15-11-3-2-8(6-10(11)13)12-7-9(14)4-5-16-12/h2-3,6,9,12H,4-5,7,14H2,1H3
InChIKeySPASLAKRIQMXGG-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.01
Rot. Bonds2

About 2-(3-fluoro-4-methoxyphenyl)oxan-4-amine

2-(3-fluoro-4-methoxyphenyl)oxan-4-amine (PubChem CID 65101227) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)oxan-4-amine.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)oxan-4-amine
PubChem CID65101227
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-(3-fluoro-4-methoxyphenyl)oxan-4-amine
SMILESCOc1ccc(C2CC(N)CCO2)cc1F
InChIInChI=1S/C12H16FNO2/c1-15-11-3-2-8(6-10(11)13)12-7-9(14)4-5-16-12/h2-3,6,9,12H,4-5,7,14H2,1H3
InChIKeySPASLAKRIQMXGG-UHFFFAOYSA-N
XLogP2.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine
CID 62795099
2-[4-(difluoromethyl)phenyl]oxan-4-amine
CID 115525538
4-(2,2-dimethylcyclopropyl)-2-fluoro-1-methoxybenzene
CID 165178047
4-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-amine
CID 82612413
[2-(3-fluoro-4-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]methanamine
CID 65101265
3-(3-fluoro-4-methoxyphenyl)azetidine
CID 82280860
8-[(3-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 55148889
3-(3-fluoro-4-methoxyphenyl)cyclohexan-1-ol
CID 64516764
4-(3-fluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-amine
CID 82391825
1-[2-(3-fluoro-4-methoxyphenyl)oxan-3-yl]-N-methylmethanamine
CID 79365083
2-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carbaldehyde
CID 20792250
2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene
CID 18344262

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)oxan-4-amine?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)oxan-4-amine (CID 65101227) is 2-(3-fluoro-4-methoxyphenyl)oxan-4-amine.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)oxan-4-amine?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)oxan-4-amine is COc1ccc(C2CC(N)CCO2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)oxan-4-amine?
The InChIKey is SPASLAKRIQMXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-15-11-3-2-8(6-10(11)13)12-7-9(14)4-5-16-12/h2-3,6,9,12H,4-5,7,14H2,1H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)oxan-4-amine?
2-(3-fluoro-4-methoxyphenyl)oxan-4-amine has a molecular weight of 225.26 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)oxan-4-amine is sourced from PubChem (CID 65101227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).