[1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylcyclopropyl]methanamine

C15H22ClNO — CID 116842404

IUPAC[1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylcyclopropyl]methanamine
SMILESCOc1c(C)c(C)c(Cl)c(C)c1C1(CN)CC1C
InChIInChI=1S/C15H22ClNO/c1-8-6-15(8,7-17)12-11(4)13(16)9(2)10(3)14(12)18-5/h8H,6-7,17H2,1-5H3
InChIKeyDAHKHCVKQAYSQA-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.51
Rot. Bonds3

About [1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylcyclopropyl]methanamine

[1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylcyclopropyl]methanamine (PubChem CID 116842404) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is [1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylcyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylcyclopropyl]methanamine
PubChem CID116842404
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name[1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylcyclopropyl]methanamine
SMILESCOc1c(C)c(C)c(Cl)c(C)c1C1(CN)CC1C
InChIInChI=1S/C15H22ClNO/c1-8-6-15(8,7-17)12-11(4)13(16)9(2)10(3)14(12)18-5/h8H,6-7,17H2,1-5H3
InChIKeyDAHKHCVKQAYSQA-UHFFFAOYSA-N
XLogP3.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylcyclopropyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylcyclopropyl]methanamine?
The IUPAC name of [1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylcyclopropyl]methanamine (CID 116842404) is [1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylcyclopropyl]methanamine.
What is the SMILES notation for [1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylcyclopropyl]methanamine?
The canonical SMILES for [1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylcyclopropyl]methanamine is COc1c(C)c(C)c(Cl)c(C)c1C1(CN)CC1C.
What is the InChIKey of [1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylcyclopropyl]methanamine?
The InChIKey is DAHKHCVKQAYSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-8-6-15(8,7-17)12-11(4)13(16)9(2)10(3)14(12)18-5/h8H,6-7,17H2,1-5H3.
What are the key properties of [1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylcyclopropyl]methanamine?
[1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylcyclopropyl]methanamine has a molecular weight of 267.80 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylcyclopropyl]methanamine is sourced from PubChem (CID 116842404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).