[1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine

C13H19NO — CID 117293943

IUPAC[1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine
SMILESCOc1c(C2(CN)CC2)ccc(C)c1C
InChIInChI=1S/C13H19NO/c1-9-4-5-11(12(15-3)10(9)2)13(8-14)6-7-13/h4-5H,6-8,14H2,1-3H3
InChIKeyACPDHIRLFXEJKV-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.30
Rot. Bonds3

About [1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine

[1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine (PubChem CID 117293943) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is [1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine
PubChem CID117293943
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name[1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine
SMILESCOc1c(C2(CN)CC2)ccc(C)c1C
InChIInChI=1S/C13H19NO/c1-9-4-5-11(12(15-3)10(9)2)13(8-14)6-7-13/h4-5H,6-8,14H2,1-3H3
InChIKeyACPDHIRLFXEJKV-UHFFFAOYSA-N
XLogP2.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,3,4-trimethylphenyl)cyclopropyl]methanamine
CID 116963513
[1-(4-chloro-2-methoxy-3,5-dimethylphenyl)cyclopropyl]methanamine
CID 117352237
1-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine
CID 103432757
[1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 82611087
[1-(3-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]methanamine
CID 117437550
3-[1-(aminomethyl)cyclopropyl]-6-chloro-2-methoxyphenol
CID 117327619
[1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine
CID 117377054
3-[1-(aminomethyl)cyclopropyl]-6-methylbenzene-1,2-diol
CID 117283669
[1-(3-chloro-2,5-dimethoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117392552
[1-(aminomethyl)cyclohexyl]-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103434920
4-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxy-6-methylphenol
CID 84801297
6-[1-(aminomethyl)cyclopropyl]-2-fluoro-3-methylphenol
CID 117285305

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine (CID 117293943) is [1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine is COc1c(C2(CN)CC2)ccc(C)c1C.
What is the InChIKey of [1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine?
The InChIKey is ACPDHIRLFXEJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9-4-5-11(12(15-3)10(9)2)13(8-14)6-7-13/h4-5H,6-8,14H2,1-3H3.
What are the key properties of [1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine?
[1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine has a molecular weight of 205.30 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 117293943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).