1-(2,3-dimethoxy-5-propan-2-ylphenyl)cyclopropan-1-amine

C14H21NO2 — CID 117342983

IUPAC1-(2,3-dimethoxy-5-propan-2-ylphenyl)cyclopropan-1-amine
SMILESCOc1cc(C(C)C)cc(C2(N)CC2)c1OC
InChIInChI=1S/C14H21NO2/c1-9(2)10-7-11(14(15)5-6-14)13(17-4)12(8-10)16-3/h7-9H,5-6,15H2,1-4H3
InChIKeyDMOQANPVBYXLDZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.78
Rot. Bonds4

About 1-(2,3-dimethoxy-5-propan-2-ylphenyl)cyclopropan-1-amine

1-(2,3-dimethoxy-5-propan-2-ylphenyl)cyclopropan-1-amine (PubChem CID 117342983) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(2,3-dimethoxy-5-propan-2-ylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(2,3-dimethoxy-5-propan-2-ylphenyl)cyclopropan-1-amine
PubChem CID117342983
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(2,3-dimethoxy-5-propan-2-ylphenyl)cyclopropan-1-amine
SMILESCOc1cc(C(C)C)cc(C2(N)CC2)c1OC
InChIInChI=1S/C14H21NO2/c1-9(2)10-7-11(14(15)5-6-14)13(17-4)12(8-10)16-3/h7-9H,5-6,15H2,1-4H3
InChIKeyDMOQANPVBYXLDZ-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2-methoxy-5-propan-2-ylphenyl)cyclopropan-1-amine
CID 84812944
1-[(2,3-dimethoxy-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine
CID 117376984
1-(2,3,5-trimethoxyphenyl)cyclobutan-1-amine
CID 117346828
1-(5-bromo-2-methoxy-3-propan-2-ylphenyl)cyclopropan-1-amine
CID 84812947
4-(2-methoxy-5-propan-2-ylphenyl)oxan-4-amine
CID 82297013
1-[1-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]cyclopropyl]ethanamine
CID 117422055
1-(6-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropan-1-amine
CID 117499483
1-[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117497496
[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]methanamine
CID 117480546
1-(2-chloro-3-methoxy-5-propan-2-ylphenyl)cyclopropan-1-ol
CID 117354231
1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
CID 144562755
1-(2,3-dimethoxy-4,5-dimethylphenyl)cyclopropan-1-amine
CID 84788006

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxy-5-propan-2-ylphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(2,3-dimethoxy-5-propan-2-ylphenyl)cyclopropan-1-amine (CID 117342983) is 1-(2,3-dimethoxy-5-propan-2-ylphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(2,3-dimethoxy-5-propan-2-ylphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(2,3-dimethoxy-5-propan-2-ylphenyl)cyclopropan-1-amine is COc1cc(C(C)C)cc(C2(N)CC2)c1OC.
What is the InChIKey of 1-(2,3-dimethoxy-5-propan-2-ylphenyl)cyclopropan-1-amine?
The InChIKey is DMOQANPVBYXLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9(2)10-7-11(14(15)5-6-14)13(17-4)12(8-10)16-3/h7-9H,5-6,15H2,1-4H3.
What are the key properties of 1-(2,3-dimethoxy-5-propan-2-ylphenyl)cyclopropan-1-amine?
1-(2,3-dimethoxy-5-propan-2-ylphenyl)cyclopropan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.78, 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-5-propan-2-ylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 117342983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).