1-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine

C16H25NO2 — CID 117413676

IUPAC1-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
SMILESCOc1cc(OC)c(C2(C(C)N)CC2)cc1C(C)C
InChIInChI=1S/C16H25NO2/c1-10(2)12-8-13(16(6-7-16)11(3)17)15(19-5)9-14(12)18-4/h8-11H,6-7,17H2,1-5H3
InChIKeyOTOLZHULHDELDH-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.21
Rot. Bonds5

About 1-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine

1-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine (PubChem CID 117413676) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
PubChem CID117413676
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
SMILESCOc1cc(OC)c(C2(C(C)N)CC2)cc1C(C)C
InChIInChI=1S/C16H25NO2/c1-10(2)12-8-13(16(6-7-16)11(3)17)15(19-5)9-14(12)18-4/h8-11H,6-7,17H2,1-5H3
InChIKeyOTOLZHULHDELDH-UHFFFAOYSA-N
XLogP3.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

1-[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117361282
1-[1-(3-methoxy-4-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117339161
1-[1-(5-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117465007
1-[1-(2-methoxy-5-methylsulfanylphenyl)cyclopropyl]ethanamine
CID 117347796
1-[1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117382007
1-[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117497496
1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclohexan-1-amine
CID 117444886
1-[1-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)cyclopropyl]ethanamine
CID 117456418
2-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid
CID 117446176
1-[1-(5-cyclopentyl-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117402808
3-(2,4-dimethoxy-5-propan-2-ylphenyl)butan-1-amine
CID 117382187
[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117444927

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine (CID 117413676) is 1-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine is COc1cc(OC)c(C2(C(C)N)CC2)cc1C(C)C.
What is the InChIKey of 1-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine?
The InChIKey is OTOLZHULHDELDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-10(2)12-8-13(16(6-7-16)11(3)17)15(19-5)9-14(12)18-4/h8-11H,6-7,17H2,1-5H3.
What are the key properties of 1-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine?
1-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117413676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).