[1-(5-ethyl-2-methylphenyl)cyclopropyl]methanamine

C13H19N — CID 117281665

IUPAC[1-(5-ethyl-2-methylphenyl)cyclopropyl]methanamine
SMILESCCc1ccc(C)c(C2(CN)CC2)c1
InChIInChI=1S/C13H19N/c1-3-11-5-4-10(2)12(8-11)13(9-14)6-7-13/h4-5,8H,3,6-7,9,14H2,1-2H3
InChIKeyJDQJWTFWYVNCFN-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.55
Rot. Bonds3

About [1-(5-ethyl-2-methylphenyl)cyclopropyl]methanamine

[1-(5-ethyl-2-methylphenyl)cyclopropyl]methanamine (PubChem CID 117281665) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is [1-(5-ethyl-2-methylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(5-ethyl-2-methylphenyl)cyclopropyl]methanamine
PubChem CID117281665
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name[1-(5-ethyl-2-methylphenyl)cyclopropyl]methanamine
SMILESCCc1ccc(C)c(C2(CN)CC2)c1
InChIInChI=1S/C13H19N/c1-3-11-5-4-10(2)12(8-11)13(9-14)6-7-13/h4-5,8H,3,6-7,9,14H2,1-2H3
InChIKeyJDQJWTFWYVNCFN-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(5-ethyl-2-methylphenyl)cyclopentyl]methanamine
CID 117310072
1-(5-ethyl-2-methylphenyl)cyclobutan-1-amine
CID 117281654
[1-(5-ethyl-2-fluorophenyl)cyclobutyl]methanamine
CID 117296578
1-(5-ethyl-2-methylphenyl)cyclohexan-1-amine
CID 117310158
[1-(2,5-dimethylphenyl)cyclopentyl]methanamine
CID 82491829
[1-(5-ethyl-2,3-dimethylphenyl)cyclobutyl]methanamine
CID 117310098
[1-(2,3,4-trimethylphenyl)cyclopropyl]methanamine
CID 116963513
3-[1-(aminomethyl)cyclopropyl]-6-methylbenzene-1,2-diol
CID 117283669
2-[3-(5-ethyl-2-methylphenyl)oxetan-3-yl]ethanol
CID 176665939
6-[1-(aminomethyl)cyclopropyl]-2-fluoro-3-methylphenol
CID 117285305
2-[1-(aminomethyl)cyclopropyl]-4-ethyl-6-methoxyphenol
CID 117316384
4-[1-(aminomethyl)cyclopropyl]-3-methylphenol
CID 83695876

Frequently Asked Questions

What is the IUPAC name of [1-(5-ethyl-2-methylphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(5-ethyl-2-methylphenyl)cyclopropyl]methanamine (CID 117281665) is [1-(5-ethyl-2-methylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(5-ethyl-2-methylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(5-ethyl-2-methylphenyl)cyclopropyl]methanamine is CCc1ccc(C)c(C2(CN)CC2)c1.
What is the InChIKey of [1-(5-ethyl-2-methylphenyl)cyclopropyl]methanamine?
The InChIKey is JDQJWTFWYVNCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-3-11-5-4-10(2)12(8-11)13(9-14)6-7-13/h4-5,8H,3,6-7,9,14H2,1-2H3.
What are the key properties of [1-(5-ethyl-2-methylphenyl)cyclopropyl]methanamine?
[1-(5-ethyl-2-methylphenyl)cyclopropyl]methanamine has a molecular weight of 189.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-ethyl-2-methylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 117281665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).