N-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]propan-1-amine

C16H27NO4 — CID 65302821

IUPACN-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]propan-1-amine
SMILESCCCNCCOCCc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C16H27NO4/c1-5-9-17-10-12-21-11-8-13-6-7-14(18-2)16(20-4)15(13)19-3/h6-7,17H,5,8-12H2,1-4H3
InChIKeyVUEHRTLZVUCOJO-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.27
Rot. Bonds11

About N-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]propan-1-amine

N-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]propan-1-amine (PubChem CID 65302821) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is N-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]propan-1-amine
PubChem CID65302821
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC NameN-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]propan-1-amine
SMILESCCCNCCOCCc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C16H27NO4/c1-5-9-17-10-12-21-11-8-13-6-7-14(18-2)16(20-4)15(13)19-3/h6-7,17H,5,8-12H2,1-4H3
InChIKeyVUEHRTLZVUCOJO-UHFFFAOYSA-N
XLogP2.27
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.27
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]cyclopropanamine
CID 65303577
2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethanamine
CID 65305545
N-[2-(3-bromo-2,4-dimethoxyphenyl)ethyl]propan-1-amine
CID 103523799
N-[2-[2-(3-bromo-4-methoxyphenyl)ethoxy]ethyl]propan-1-amine
CID 65303163
2-but-3-enoxy-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 103854363
N'-[(2,3,4-trimethoxyphenyl)methyl]-N-[2-[(2,3,4-trimethoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;trihydrochloride
CID 139593123
2-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propan-2-amine
CID 64865802
1-hept-3-ynyl-2,3,4-trimethoxybenzene
CID 83934109
3-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 11790895
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
1-hex-3-ynyl-2,3,4-trimethoxybenzene
CID 83934105
N-[2-[3-methoxy-2-(2-phenylethoxy)phenyl]ethyl]propan-1-amine
CID 70269096

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]propan-1-amine?
The IUPAC name of N-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]propan-1-amine (CID 65302821) is N-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]propan-1-amine is CCCNCCOCCc1ccc(OC)c(OC)c1OC.
What is the InChIKey of N-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]propan-1-amine?
The InChIKey is VUEHRTLZVUCOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-5-9-17-10-12-21-11-8-13-6-7-14(18-2)16(20-4)15(13)19-3/h6-7,17H,5,8-12H2,1-4H3.
What are the key properties of N-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]propan-1-amine?
N-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]propan-1-amine has a molecular weight of 297.39 g/mol, XLogP of 2.27, 11 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]propan-1-amine is sourced from PubChem (CID 65302821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).