(3,4-dimethoxyphenyl)-(oxolan-3-yl)methanamine

C13H19NO3 — CID 61271784

IUPAC(3,4-dimethoxyphenyl)-(oxolan-3-yl)methanamine
SMILESCOc1ccc(C(N)C2CCOC2)cc1OC
InChIInChI=1S/C13H19NO3/c1-15-11-4-3-9(7-12(11)16-2)13(14)10-5-6-17-8-10/h3-4,7,10,13H,5-6,8,14H2,1-2H3
InChIKeyOOYFRWDZZVYODG-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.74
Rot. Bonds4

About (3,4-dimethoxyphenyl)-(oxolan-3-yl)methanamine

(3,4-dimethoxyphenyl)-(oxolan-3-yl)methanamine (PubChem CID 61271784) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(oxolan-3-yl)methanamine
PubChem CID61271784
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(3,4-dimethoxyphenyl)-(oxolan-3-yl)methanamine
SMILESCOc1ccc(C(N)C2CCOC2)cc1OC
InChIInChI=1S/C13H19NO3/c1-15-11-4-3-9(7-12(11)16-2)13(14)10-5-6-17-8-10/h3-4,7,10,13H,5-6,8,14H2,1-2H3
InChIKeyOOYFRWDZZVYODG-UHFFFAOYSA-N
XLogP1.74
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-4-methoxyphenyl)-(oxolan-3-yl)methanamine
CID 61270663
(S)-(4-ethoxy-3-methoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171243693
(S)-(4-methoxy-3-methylphenyl)-(oxan-4-yl)methanamine
CID 171244198
(3-fluoro-4-methoxyphenyl)-(oxan-4-yl)methanamine
CID 62906702
(3,4-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79906909
oxan-3-yl-(3,4,5-trimethoxyphenyl)methanamine
CID 107139267
3-[amino-(3,4-dimethoxyphenyl)methyl]cyclobutan-1-amine
CID 116937304
azetidin-3-yl-(3,4-dimethoxyphenyl)methanamine
CID 116935281
(4-methylphenyl)-(oxolan-3-yl)methanamine
CID 61271786
(3,4-dichlorophenyl)-(oxolan-3-yl)methanamine
CID 61273204
(3,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 64739837
(3,4-dimethoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 115998021

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(oxolan-3-yl)methanamine?
The IUPAC name of (3,4-dimethoxyphenyl)-(oxolan-3-yl)methanamine (CID 61271784) is (3,4-dimethoxyphenyl)-(oxolan-3-yl)methanamine.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(oxolan-3-yl)methanamine?
The canonical SMILES for (3,4-dimethoxyphenyl)-(oxolan-3-yl)methanamine is COc1ccc(C(N)C2CCOC2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(oxolan-3-yl)methanamine?
The InChIKey is OOYFRWDZZVYODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-15-11-4-3-9(7-12(11)16-2)13(14)10-5-6-17-8-10/h3-4,7,10,13H,5-6,8,14H2,1-2H3.
What are the key properties of (3,4-dimethoxyphenyl)-(oxolan-3-yl)methanamine?
(3,4-dimethoxyphenyl)-(oxolan-3-yl)methanamine has a molecular weight of 237.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(oxolan-3-yl)methanamine is sourced from PubChem (CID 61271784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).