1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine

C13H19NO3 — CID 117346889

IUPAC1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine
SMILESCOc1cc(OC)c(CC2(N)CC2)c(OC)c1
InChIInChI=1S/C13H19NO3/c1-15-9-6-11(16-2)10(12(7-9)17-3)8-13(14)4-5-13/h6-7H,4-5,8,14H2,1-3H3
InChIKeyCXVPRDJLTBCEGZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.75
Rot. Bonds5

About 1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine

1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine (PubChem CID 117346889) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine
PubChem CID117346889
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine
SMILESCOc1cc(OC)c(CC2(N)CC2)c(OC)c1
InChIInChI=1S/C13H19NO3/c1-15-9-6-11(16-2)10(12(7-9)17-3)8-13(14)4-5-13/h6-7H,4-5,8,14H2,1-3H3
InChIKeyCXVPRDJLTBCEGZ-UHFFFAOYSA-N
XLogP1.75
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,6-difluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117303787
[1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropyl]methanol
CID 116928893
4-[(1-aminocyclopropyl)methyl]-3-methoxy-5-methylphenol
CID 117296210
1-(2-bromo-4,6-dimethoxyphenyl)cyclopropan-1-amine
CID 84809508
2-[(1-aminocyclopropyl)methyl]-3,4-difluoro-6-methoxyphenol
CID 117329978
2-(iodomethyl)-1,3,5-trimethoxybenzene
CID 10946751
3-[(1-aminocyclopropyl)methyl]-2-chloro-4,5-dimethoxyphenol
CID 117397604
1-[(4-ethyl-2,5-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117343094
1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropan-1-amine
CID 105423331
1-[1-(2-ethyl-3,5-dimethoxyphenyl)cyclopropyl]ethanamine
CID 117377087
1-[(6-bromo-2-fluoro-3,4-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117489103
1-(3,5-dimethoxy-2-methylphenyl)cyclopropan-1-amine
CID 84779618

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine (CID 117346889) is 1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine is COc1cc(OC)c(CC2(N)CC2)c(OC)c1.
What is the InChIKey of 1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine?
The InChIKey is CXVPRDJLTBCEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-15-9-6-11(16-2)10(12(7-9)17-3)8-13(14)4-5-13/h6-7H,4-5,8,14H2,1-3H3.
What are the key properties of 1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine?
1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine has a molecular weight of 237.30 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117346889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).