1-[(2,3-dimethoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-amine

C14H21NO2 — CID 117343091

IUPAC1-[(2,3-dimethoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-amine
SMILESCOc1c(C)cc(C)c(CC2(N)CC2)c1OC
InChIInChI=1S/C14H21NO2/c1-9-7-10(2)12(16-3)13(17-4)11(9)8-14(15)5-6-14/h7H,5-6,8,15H2,1-4H3
InChIKeyOYXOMHCCYIUKDT-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.35
Rot. Bonds4

About 1-[(2,3-dimethoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-amine

1-[(2,3-dimethoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-amine (PubChem CID 117343091) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[(2,3-dimethoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(2,3-dimethoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-amine
PubChem CID117343091
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[(2,3-dimethoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-amine
SMILESCOc1c(C)cc(C)c(CC2(N)CC2)c1OC
InChIInChI=1S/C14H21NO2/c1-9-7-10(2)12(16-3)13(17-4)11(9)8-14(15)5-6-14/h7H,5-6,8,15H2,1-4H3
InChIKeyOYXOMHCCYIUKDT-UHFFFAOYSA-N
XLogP2.35
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-methoxy-2,4,6-trimethylphenyl)ethyl]cyclopropan-1-amine
CID 105493542
1-[(6-bromo-2-methoxy-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117428483
4-[(1-aminocyclopropyl)methyl]-3-methoxy-5-methylphenol
CID 117296210
(2,3-dimethoxy-4,6-dimethylphenyl)methanol
CID 84666963
1-[[(2-methoxy-3,4,6-trimethylphenyl)methylamino]methyl]cyclopropan-1-amine
CID 115256740
[1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropyl]methanol
CID 116928935
N-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-3-methylaniline
CID 115256387
1-[(3-bromo-2-methoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-ol
CID 117459099
1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117346889
1-[(3-chloro-4-methoxy-2,5,6-trimethylphenyl)methyl]cyclopropan-1-amine
CID 117116102
1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropane-1-carbonitrile
CID 116837181
3-[(1-aminocyclopropyl)methyl]-2-chloro-4,5-dimethoxyphenol
CID 117397604

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(2,3-dimethoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-amine (CID 117343091) is 1-[(2,3-dimethoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(2,3-dimethoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(2,3-dimethoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-amine is COc1c(C)cc(C)c(CC2(N)CC2)c1OC.
What is the InChIKey of 1-[(2,3-dimethoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-amine?
The InChIKey is OYXOMHCCYIUKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9-7-10(2)12(16-3)13(17-4)11(9)8-14(15)5-6-14/h7H,5-6,8,15H2,1-4H3.
What are the key properties of 1-[(2,3-dimethoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-amine?
1-[(2,3-dimethoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117343091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).