N-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]cyclopropanamine

C16H25NO4 — CID 65303577

IUPACN-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]cyclopropanamine
SMILESCOc1ccc(CCOCCNC2CC2)c(OC)c1OC
InChIInChI=1S/C16H25NO4/c1-18-14-7-4-12(15(19-2)16(14)20-3)8-10-21-11-9-17-13-5-6-13/h4,7,13,17H,5-6,8-11H2,1-3H3
InChIKeyIVKCUBNQAJBZHE-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.02
Rot. Bonds10

About N-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]cyclopropanamine

N-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]cyclopropanamine (PubChem CID 65303577) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]cyclopropanamine
PubChem CID65303577
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC NameN-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]cyclopropanamine
SMILESCOc1ccc(CCOCCNC2CC2)c(OC)c1OC
InChIInChI=1S/C16H25NO4/c1-18-14-7-4-12(15(19-2)16(14)20-3)8-10-21-11-9-17-13-5-6-13/h4,7,13,17H,5-6,8-11H2,1-3H3
InChIKeyIVKCUBNQAJBZHE-UHFFFAOYSA-N
XLogP2.02
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]propan-1-amine
CID 65302821
2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethanamine
CID 65305545
N-[2-[2-(4-methoxy-3,5-dimethylphenyl)ethoxy]ethyl]cyclopropanamine
CID 83068746
N-[2-(2,6-dimethoxyphenoxy)ethyl]cyclopropanamine
CID 29015300
N-[2-[2-(2,5-dimethylthiophen-3-yl)ethoxy]ethyl]cyclopropanamine
CID 65303412
2-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propan-2-amine
CID 64865802
N-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine
CID 62801628
N-[2-[2-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]cyclopropanamine
CID 65303492
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine
CID 104560665
N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-4-amine
CID 115118464
3-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]cyclobutan-1-amine
CID 104588014
N-[2-[2-(3-bromo-4-ethoxyphenyl)ethoxy]ethyl]cyclopropanamine
CID 104662902

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]cyclopropanamine (CID 65303577) is N-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]cyclopropanamine is COc1ccc(CCOCCNC2CC2)c(OC)c1OC.
What is the InChIKey of N-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]cyclopropanamine?
The InChIKey is IVKCUBNQAJBZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-18-14-7-4-12(15(19-2)16(14)20-3)8-10-21-11-9-17-13-5-6-13/h4,7,13,17H,5-6,8-11H2,1-3H3.
What are the key properties of N-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]cyclopropanamine?
N-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]cyclopropanamine has a molecular weight of 295.38 g/mol, XLogP of 2.02, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]cyclopropanamine is sourced from PubChem (CID 65303577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).