(2-fluoro-4,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine

C14H20FNO3 — CID 81331181

IUPAC(2-fluoro-4,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine
SMILESCOc1cc(F)c(C(N)C2CCC(C)O2)cc1OC
InChIInChI=1S/C14H20FNO3/c1-8-4-5-11(19-8)14(16)9-6-12(17-2)13(18-3)7-10(9)15/h6-8,11,14H,4-5,16H2,1-3H3
InChIKeyDFQVZBWVOIBNNJ-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.41
Rot. Bonds4

About (2-fluoro-4,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine

(2-fluoro-4,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine (PubChem CID 81331181) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is (2-fluoro-4,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name(2-fluoro-4,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine
PubChem CID81331181
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name(2-fluoro-4,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine
SMILESCOc1cc(F)c(C(N)C2CCC(C)O2)cc1OC
InChIInChI=1S/C14H20FNO3/c1-8-4-5-11(19-8)14(16)9-6-12(17-2)13(18-3)7-10(9)15/h6-8,11,14H,4-5,16H2,1-3H3
InChIKeyDFQVZBWVOIBNNJ-UHFFFAOYSA-N
XLogP2.41
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-2,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine
CID 105056520
(2-fluoro-4,5-dimethoxyphenyl)-(2-methylcyclopentyl)methanamine
CID 107177787
(R)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171213992
(S)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171233620
(2-chloro-5-fluorophenyl)-(5-methyloxolan-2-yl)methanamine
CID 105396850
(4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanamine
CID 105006851
cyclopropyl-(2,5-difluoro-4-methoxyphenyl)methanamine
CID 130024487
(2,4-dichlorophenyl)-(5-methyloxolan-2-yl)methanamine
CID 81331291
[(2-fluoro-4-methoxyphenyl)-(5-methyloxolan-2-yl)methyl]hydrazine
CID 103397793
1-[chloro(cyclopropyl)methyl]-2-fluoro-4,5-dimethoxybenzene
CID 62865876
[(3,4-dimethoxyphenyl)-(5-methyloxolan-2-yl)methyl]hydrazine
CID 105301173
2-[bromo-(3,4-dimethoxyphenyl)methyl]-5-methyloxolane
CID 81326671

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine?
The IUPAC name of (2-fluoro-4,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine (CID 81331181) is (2-fluoro-4,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine.
What is the SMILES notation for (2-fluoro-4,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine?
The canonical SMILES for (2-fluoro-4,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine is COc1cc(F)c(C(N)C2CCC(C)O2)cc1OC.
What is the InChIKey of (2-fluoro-4,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine?
The InChIKey is DFQVZBWVOIBNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-8-4-5-11(19-8)14(16)9-6-12(17-2)13(18-3)7-10(9)15/h6-8,11,14H,4-5,16H2,1-3H3.
What are the key properties of (2-fluoro-4,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine?
(2-fluoro-4,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine has a molecular weight of 269.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 81331181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).