1-[2-(3-methoxy-2,4,6-trimethylphenyl)ethyl]cyclopropan-1-amine

C15H23NO — CID 105493542

IUPAC1-[2-(3-methoxy-2,4,6-trimethylphenyl)ethyl]cyclopropan-1-amine
SMILESCOc1c(C)cc(C)c(CCC2(N)CC2)c1C
InChIInChI=1S/C15H23NO/c1-10-9-11(2)14(17-4)12(3)13(10)5-6-15(16)7-8-15/h9H,5-8,16H2,1-4H3
InChIKeyTVBZGXVUVJRSHH-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.04
Rot. Bonds4

About 1-[2-(3-methoxy-2,4,6-trimethylphenyl)ethyl]cyclopropan-1-amine

1-[2-(3-methoxy-2,4,6-trimethylphenyl)ethyl]cyclopropan-1-amine (PubChem CID 105493542) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-[2-(3-methoxy-2,4,6-trimethylphenyl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(3-methoxy-2,4,6-trimethylphenyl)ethyl]cyclopropan-1-amine
PubChem CID105493542
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-[2-(3-methoxy-2,4,6-trimethylphenyl)ethyl]cyclopropan-1-amine
SMILESCOc1c(C)cc(C)c(CCC2(N)CC2)c1C
InChIInChI=1S/C15H23NO/c1-10-9-11(2)14(17-4)12(3)13(10)5-6-15(16)7-8-15/h9H,5-8,16H2,1-4H3
InChIKeyTVBZGXVUVJRSHH-UHFFFAOYSA-N
XLogP3.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,3-dimethoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-amine
CID 117343091
1-[2-(2,3-dimethoxy-6-methylphenyl)ethyl]cyclopropan-1-amine
CID 105496609
1-[2-(5-fluoro-3-methoxy-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105499390
1-[[(2-methoxy-3,4,6-trimethylphenyl)methylamino]methyl]cyclopropan-1-amine
CID 115256740
1-[2-(3,5-difluoro-2,6-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105483076
1-[2-(4-fluoro-2-methoxy-3-methylphenyl)ethyl]cyclopropan-1-amine
CID 105480780
1-[2-(5-fluoro-2-methoxy-4-methylphenyl)ethyl]cyclopropan-1-amine
CID 105480784
1-[2-(2-fluoro-6-methylphenyl)ethyl]cyclopropan-1-amine
CID 105447363
N-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-3-methylaniline
CID 115256387
1-[2-(4,6-dimethoxy-5-methyl-2-pyridinyl)ethyl]cyclopropan-1-amine
CID 105497943
1-[2-(2-ethyl-5-fluoro-3-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 105499389
1-[2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]ethyl]cyclopropan-1-amine
CID 105483075

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxy-2,4,6-trimethylphenyl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(3-methoxy-2,4,6-trimethylphenyl)ethyl]cyclopropan-1-amine (CID 105493542) is 1-[2-(3-methoxy-2,4,6-trimethylphenyl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(3-methoxy-2,4,6-trimethylphenyl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(3-methoxy-2,4,6-trimethylphenyl)ethyl]cyclopropan-1-amine is COc1c(C)cc(C)c(CCC2(N)CC2)c1C.
What is the InChIKey of 1-[2-(3-methoxy-2,4,6-trimethylphenyl)ethyl]cyclopropan-1-amine?
The InChIKey is TVBZGXVUVJRSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10-9-11(2)14(17-4)12(3)13(10)5-6-15(16)7-8-15/h9H,5-8,16H2,1-4H3.
What are the key properties of 1-[2-(3-methoxy-2,4,6-trimethylphenyl)ethyl]cyclopropan-1-amine?
1-[2-(3-methoxy-2,4,6-trimethylphenyl)ethyl]cyclopropan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxy-2,4,6-trimethylphenyl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105493542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).