4-[(5-fluoro-2-methoxyphenyl)methyl]oxan-4-amine

C13H18FNO2 — CID 83824702

IUPAC4-[(5-fluoro-2-methoxyphenyl)methyl]oxan-4-amine
SMILESCOc1ccc(F)cc1CC1(N)CCOCC1
InChIInChI=1S/C13H18FNO2/c1-16-12-3-2-11(14)8-10(12)9-13(15)4-6-17-7-5-13/h2-3,8H,4-7,9,15H2,1H3
InChIKeyXKXXZTFSAQJNBD-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.88
Rot. Bonds3

About 4-[(5-fluoro-2-methoxyphenyl)methyl]oxan-4-amine

4-[(5-fluoro-2-methoxyphenyl)methyl]oxan-4-amine (PubChem CID 83824702) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 4-[(5-fluoro-2-methoxyphenyl)methyl]oxan-4-amine.

Molecular Properties

Compound Name4-[(5-fluoro-2-methoxyphenyl)methyl]oxan-4-amine
PubChem CID83824702
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name4-[(5-fluoro-2-methoxyphenyl)methyl]oxan-4-amine
SMILESCOc1ccc(F)cc1CC1(N)CCOCC1
InChIInChI=1S/C13H18FNO2/c1-16-12-3-2-11(14)8-10(12)9-13(15)4-6-17-7-5-13/h2-3,8H,4-7,9,15H2,1H3
InChIKeyXKXXZTFSAQJNBD-UHFFFAOYSA-N
XLogP1.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,5-difluorophenyl)methyl]oxan-4-amine
CID 63220413
4-[(2-chloro-5-fluorophenyl)methyl]oxan-4-amine
CID 102617544
4-(5-fluoro-2-methoxyphenyl)oxan-4-amine
CID 80503676
4-[(2-chloro-4-fluorophenyl)methyl]oxan-4-amine
CID 63220505
1-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]cyclopropan-1-amine
CID 117408208
4-(5-fluoro-2-methoxyphenyl)oxepan-4-amine
CID 82770544
1-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine
CID 83688380
4-[(2-chloro-4-fluorophenyl)methyl]oxepan-4-amine
CID 65081829
4-(chloromethyl)-4-(5-fluoro-2-methoxyphenyl)oxane
CID 82089670
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
1-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine
CID 55042036
1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]cyclopropan-1-amine
CID 117379377

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-methoxyphenyl)methyl]oxan-4-amine?
The IUPAC name of 4-[(5-fluoro-2-methoxyphenyl)methyl]oxan-4-amine (CID 83824702) is 4-[(5-fluoro-2-methoxyphenyl)methyl]oxan-4-amine.
What is the SMILES notation for 4-[(5-fluoro-2-methoxyphenyl)methyl]oxan-4-amine?
The canonical SMILES for 4-[(5-fluoro-2-methoxyphenyl)methyl]oxan-4-amine is COc1ccc(F)cc1CC1(N)CCOCC1.
What is the InChIKey of 4-[(5-fluoro-2-methoxyphenyl)methyl]oxan-4-amine?
The InChIKey is XKXXZTFSAQJNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-16-12-3-2-11(14)8-10(12)9-13(15)4-6-17-7-5-13/h2-3,8H,4-7,9,15H2,1H3.
What are the key properties of 4-[(5-fluoro-2-methoxyphenyl)methyl]oxan-4-amine?
4-[(5-fluoro-2-methoxyphenyl)methyl]oxan-4-amine has a molecular weight of 239.29 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-methoxyphenyl)methyl]oxan-4-amine is sourced from PubChem (CID 83824702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).