1-[[3-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine

C13H19NO2 — CID 117316180

IUPAC1-[[3-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine
SMILESCOCc1c(CC2(N)CC2)cccc1OC
InChIInChI=1S/C13H19NO2/c1-15-9-11-10(8-13(14)6-7-13)4-3-5-12(11)16-2/h3-5H,6-9,14H2,1-2H3
InChIKeyRUHVSGILBNIYGL-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.88
Rot. Bonds5

About 1-[[3-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine

1-[[3-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine (PubChem CID 117316180) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[[3-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[3-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine
PubChem CID117316180
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[[3-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine
SMILESCOCc1c(CC2(N)CC2)cccc1OC
InChIInChI=1S/C13H19NO2/c1-15-9-11-10(8-13(14)6-7-13)4-3-5-12(11)16-2/h3-5H,6-9,14H2,1-2H3
InChIKeyRUHVSGILBNIYGL-UHFFFAOYSA-N
XLogP1.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethoxy-2-(methoxymethyl)benzene
CID 86183606
1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopropan-1-ol
CID 117297699
1-[(2-methoxy-3-phenylmethoxyphenyl)methyl]cyclopropan-1-amine
CID 117455653
[1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117377419
1-[[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine
CID 117483540
1-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine
CID 117381745
1-[[3-methoxy-2-(thiolan-3-yloxy)phenyl]methyl]cyclopropan-1-amine
CID 117448469
1-[[3,6-dimethoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol
CID 117384074
1-[[3-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]cyclopropan-1-amine
CID 117341162
1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropan-1-amine
CID 105423331
1-[(4-ethyl-2,5-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117343094
1-[[3-(1-fluoroethyl)-2-methoxyphenyl]methyl]cyclopropan-1-amine
CID 117320065

Frequently Asked Questions

What is the IUPAC name of 1-[[3-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[3-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine (CID 117316180) is 1-[[3-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[3-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[3-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine is COCc1c(CC2(N)CC2)cccc1OC.
What is the InChIKey of 1-[[3-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine?
The InChIKey is RUHVSGILBNIYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-9-11-10(8-13(14)6-7-13)4-3-5-12(11)16-2/h3-5H,6-9,14H2,1-2H3.
What are the key properties of 1-[[3-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine?
1-[[3-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 117316180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).