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

C13H19N — CID 116963513

IUPAC[1-(2,3,4-trimethylphenyl)cyclopropyl]methanamine
SMILESCc1ccc(C2(CN)CC2)c(C)c1C
InChIInChI=1S/C13H19N/c1-9-4-5-12(11(3)10(9)2)13(8-14)6-7-13/h4-5H,6-8,14H2,1-3H3
InChIKeyJBPAIEOENIEBCQ-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.60
Rot. Bonds2

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

[1-(2,3,4-trimethylphenyl)cyclopropyl]methanamine (PubChem CID 116963513) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is [1-(2,3,4-trimethylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(2,3,4-trimethylphenyl)cyclopropyl]methanamine
PubChem CID116963513
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name[1-(2,3,4-trimethylphenyl)cyclopropyl]methanamine
SMILESCc1ccc(C2(CN)CC2)c(C)c1C
InChIInChI=1S/C13H19N/c1-9-4-5-12(11(3)10(9)2)13(8-14)6-7-13/h4-5H,6-8,14H2,1-3H3
InChIKeyJBPAIEOENIEBCQ-UHFFFAOYSA-N
XLogP2.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine
CID 117293943
3-[1-(aminomethyl)cyclopropyl]-6-methylbenzene-1,2-diol
CID 117283669
6-[1-(aminomethyl)cyclopropyl]-2-fluoro-3-methylphenol
CID 117285305
[1-(3-chloro-2,4-dimethylphenyl)cyclopentyl]methanamine
CID 84799020
[1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]cyclobutyl]methanamine
CID 116874955
[1-(6-bromo-2,3-dimethylphenyl)cyclopropyl]methanamine
CID 117388160
4-[1-(aminomethyl)cyclopropyl]-3-methylphenol
CID 83695876
[1-(5-ethyl-2-methylphenyl)cyclopropyl]methanamine
CID 117281665
[1-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351215
[1-(2-chloro-3-fluoro-4-methylphenyl)cyclopentyl]methanamine
CID 117356566
[1-(2-bromo-3-fluoro-4-methylphenyl)cyclopentyl]methanamine
CID 117461259
[1-(2,5-dimethylphenyl)cyclopentyl]methanamine
CID 82491829

Frequently Asked Questions

What is the IUPAC name of [1-(2,3,4-trimethylphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(2,3,4-trimethylphenyl)cyclopropyl]methanamine (CID 116963513) is [1-(2,3,4-trimethylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(2,3,4-trimethylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(2,3,4-trimethylphenyl)cyclopropyl]methanamine is Cc1ccc(C2(CN)CC2)c(C)c1C.
What is the InChIKey of [1-(2,3,4-trimethylphenyl)cyclopropyl]methanamine?
The InChIKey is JBPAIEOENIEBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-9-4-5-12(11(3)10(9)2)13(8-14)6-7-13/h4-5H,6-8,14H2,1-3H3.
What are the key properties of [1-(2,3,4-trimethylphenyl)cyclopropyl]methanamine?
[1-(2,3,4-trimethylphenyl)cyclopropyl]methanamine has a molecular weight of 189.30 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3,4-trimethylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 116963513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).