(3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methanamine

C13H17F2NO2 — CID 116764533

IUPAC(3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methanamine
SMILESCOC1(C(N)c2cc(F)cc(F)c2)CCOCC1
InChIInChI=1S/C13H17F2NO2/c1-17-13(2-4-18-5-3-13)12(16)9-6-10(14)8-11(15)7-9/h6-8,12H,2-5,16H2,1H3
InChIKeyNRHSABQWOFHPJY-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.16
Rot. Bonds3

About (3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methanamine

(3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methanamine (PubChem CID 116764533) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methanamine.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methanamine
PubChem CID116764533
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name(3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methanamine
SMILESCOC1(C(N)c2cc(F)cc(F)c2)CCOCC1
InChIInChI=1S/C13H17F2NO2/c1-17-13(2-4-18-5-3-13)12(16)9-6-10(14)8-11(15)7-9/h6-8,12H,2-5,16H2,1H3
InChIKeyNRHSABQWOFHPJY-UHFFFAOYSA-N
XLogP2.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-5-methylphenyl)-(1-methoxycyclobutyl)methanamine
CID 116714117
N-[(3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine
CID 116765061
2-(2,4-difluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764410
(4-methoxyoxan-4-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114731435
(4-methoxyoxan-4-yl)-(5-methylthiophen-2-yl)methanamine
CID 116764560
cyclohepten-1-yl-(4-methoxyoxan-4-yl)methanamine
CID 106654606
(3,5-dimethoxyphenyl)-(1-methoxycyclopentyl)methanamine
CID 104610743
(3,5-difluorophenyl)-(1-methoxycyclobutyl)methanol
CID 116710430
(3,5-dimethylphenyl)-(1-methoxycycloheptyl)methanamine
CID 116769915
(3-fluoro-4-methylphenyl)-(1-methoxycyclobutyl)methanamine
CID 107129160
1-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070361
(2,4-difluorophenyl)-(4-ethoxyoxan-4-yl)methanamine
CID 116765464

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methanamine?
The IUPAC name of (3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methanamine (CID 116764533) is (3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methanamine.
What is the SMILES notation for (3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methanamine?
The canonical SMILES for (3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methanamine is COC1(C(N)c2cc(F)cc(F)c2)CCOCC1.
What is the InChIKey of (3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methanamine?
The InChIKey is NRHSABQWOFHPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-17-13(2-4-18-5-3-13)12(16)9-6-10(14)8-11(15)7-9/h6-8,12H,2-5,16H2,1H3.
What are the key properties of (3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methanamine?
(3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methanamine has a molecular weight of 257.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methanamine is sourced from PubChem (CID 116764533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).