1-[1-[(2,4,6-trimethylphenyl)methyl]cyclopropyl]ethanamine

C15H23N — CID 82285270

IUPAC1-[1-[(2,4,6-trimethylphenyl)methyl]cyclopropyl]ethanamine
SMILESCc1cc(C)c(CC2(C(C)N)CC2)c(C)c1
InChIInChI=1S/C15H23N/c1-10-7-11(2)14(12(3)8-10)9-15(5-6-15)13(4)16/h7-8,13H,5-6,9,16H2,1-4H3
InChIKeyARHJWNDGLNMYLM-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.28
Rot. Bonds3

About 1-[1-[(2,4,6-trimethylphenyl)methyl]cyclopropyl]ethanamine

1-[1-[(2,4,6-trimethylphenyl)methyl]cyclopropyl]ethanamine (PubChem CID 82285270) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-[1-[(2,4,6-trimethylphenyl)methyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-[(2,4,6-trimethylphenyl)methyl]cyclopropyl]ethanamine
PubChem CID82285270
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-[1-[(2,4,6-trimethylphenyl)methyl]cyclopropyl]ethanamine
SMILESCc1cc(C)c(CC2(C(C)N)CC2)c(C)c1
InChIInChI=1S/C15H23N/c1-10-7-11(2)14(12(3)8-10)9-15(5-6-15)13(4)16/h7-8,13H,5-6,9,16H2,1-4H3
InChIKeyARHJWNDGLNMYLM-UHFFFAOYSA-N
XLogP3.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,4,6-trimethylphenyl)methyl]cyclopropyl]ethanamine?
The IUPAC name of 1-[1-[(2,4,6-trimethylphenyl)methyl]cyclopropyl]ethanamine (CID 82285270) is 1-[1-[(2,4,6-trimethylphenyl)methyl]cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-[(2,4,6-trimethylphenyl)methyl]cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-[(2,4,6-trimethylphenyl)methyl]cyclopropyl]ethanamine is Cc1cc(C)c(CC2(C(C)N)CC2)c(C)c1.
What is the InChIKey of 1-[1-[(2,4,6-trimethylphenyl)methyl]cyclopropyl]ethanamine?
The InChIKey is ARHJWNDGLNMYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-10-7-11(2)14(12(3)8-10)9-15(5-6-15)13(4)16/h7-8,13H,5-6,9,16H2,1-4H3.
What are the key properties of 1-[1-[(2,4,6-trimethylphenyl)methyl]cyclopropyl]ethanamine?
1-[1-[(2,4,6-trimethylphenyl)methyl]cyclopropyl]ethanamine has a molecular weight of 217.36 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,4,6-trimethylphenyl)methyl]cyclopropyl]ethanamine is sourced from PubChem (CID 82285270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).