2-(2,5-dimethoxyphenyl)oxan-3-amine

C13H19NO3 — CID 79364595

IUPAC2-(2,5-dimethoxyphenyl)oxan-3-amine
SMILESCOc1ccc(OC)c(C2OCCCC2N)c1
InChIInChI=1S/C13H19NO3/c1-15-9-5-6-12(16-2)10(8-9)13-11(14)4-3-7-17-13/h5-6,8,11,13H,3-4,7,14H2,1-2H3
InChIKeyAKHCWTXEXMGJMH-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.88
Rot. Bonds3

About 2-(2,5-dimethoxyphenyl)oxan-3-amine

2-(2,5-dimethoxyphenyl)oxan-3-amine (PubChem CID 79364595) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)oxan-3-amine.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)oxan-3-amine
PubChem CID79364595
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(2,5-dimethoxyphenyl)oxan-3-amine
SMILESCOc1ccc(OC)c(C2OCCCC2N)c1
InChIInChI=1S/C13H19NO3/c1-15-9-5-6-12(16-2)10(8-9)13-11(14)4-3-7-17-13/h5-6,8,11,13H,3-4,7,14H2,1-2H3
InChIKeyAKHCWTXEXMGJMH-UHFFFAOYSA-N
XLogP1.88
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2,5-dimethoxyphenyl)oxan-3-yl]methyl]ethanamine
CID 79365268
2-(3,4-dimethoxyphenyl)oxan-3-amine
CID 79365049
2-(2-bromo-4,5-dimethoxyphenyl)oxan-3-amine
CID 79365326
2-(3-chloro-4-methoxyphenyl)oxan-3-amine
CID 79365514
diethyl 2-[(2R,3S)-2-(2,5-dimethoxyphenyl)oxolan-3-yl]propanedioate
CID 122396445
N-[[2-(2,4-dimethoxyphenyl)oxan-3-yl]methyl]cyclopropanamine
CID 79370940
3-(2,5-dimethoxyphenyl)cycloheptan-1-amine
CID 64505800
2-(5-bromo-2-methoxyphenyl)-3-(chloromethyl)oxane
CID 79373071
7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43153234
2-[2-(methoxymethyl)phenyl]oxan-3-amine
CID 79365604
3-(2,5-dimethoxyphenyl)piperidin-4-amine
CID 82621034
trans-(1R,2S)-2-(2,5-dimethoxyphenyl)cyclohexan-1-ol
CID 6994758

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)oxan-3-amine?
The IUPAC name of 2-(2,5-dimethoxyphenyl)oxan-3-amine (CID 79364595) is 2-(2,5-dimethoxyphenyl)oxan-3-amine.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)oxan-3-amine?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)oxan-3-amine is COc1ccc(OC)c(C2OCCCC2N)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)oxan-3-amine?
The InChIKey is AKHCWTXEXMGJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-15-9-5-6-12(16-2)10(8-9)13-11(14)4-3-7-17-13/h5-6,8,11,13H,3-4,7,14H2,1-2H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)oxan-3-amine?
2-(2,5-dimethoxyphenyl)oxan-3-amine has a molecular weight of 237.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)oxan-3-amine is sourced from PubChem (CID 79364595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).