N-ethyl-N-[2-[(3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-yl]oxyethyl]-2-methoxyethanamine

C15H26FNO2 — CID 142114831

IUPACN-ethyl-N-[2-[(3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-yl]oxyethyl]-2-methoxyethanamine
SMILESC=C(OCCN(CC)CCOC)/C(F)=C\C(C)=C/C
InChIInChI=1S/C15H26FNO2/c1-6-13(3)12-15(16)14(4)19-11-9-17(7-2)8-10-18-5/h6,12H,4,7-11H2,1-3,5H3/b13-6-,15-12+
InChIKeyRHEWHMYEBODSRO-ZTAWCMRGSA-N
MW271.38 g/mol
LogP3.30
Rot. Bonds10

About N-ethyl-N-[2-[(3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-yl]oxyethyl]-2-methoxyethanamine

N-ethyl-N-[2-[(3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-yl]oxyethyl]-2-methoxyethanamine (PubChem CID 142114831) has the molecular formula C15H26FNO2 and a molecular weight of 271.38 g/mol. Its IUPAC name is N-ethyl-N-[2-[(3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-yl]oxyethyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-ethyl-N-[2-[(3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-yl]oxyethyl]-2-methoxyethanamine
PubChem CID142114831
Molecular FormulaC15H26FNO2
Molecular Weight271.38 g/mol
Exact Mass271.19
IUPAC NameN-ethyl-N-[2-[(3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-yl]oxyethyl]-2-methoxyethanamine
SMILESC=C(OCCN(CC)CCOC)/C(F)=C\C(C)=C/C
InChIInChI=1S/C15H26FNO2/c1-6-13(3)12-15(16)14(4)19-11-9-17(7-2)8-10-18-5/h6,12H,4,7-11H2,1-3,5H3/b13-6-,15-12+
InChIKeyRHEWHMYEBODSRO-ZTAWCMRGSA-N
XLogP3.30
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-ethyl-N-[2-[(3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-yl]oxyethyl]-2-methoxyethanamine 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

N-ethyl-N-[2-[(2E,4E)-4-fluorohepta-2,4-dien-3-yl]oxyethyl]propan-1-amine
CID 144808749
N-[2-[(3Z,5Z)-3,4-difluoro-5-methylhepta-3,5-dien-2-yl]oxyethyl]-2-ethoxy-N-ethylethanamine
CID 155442353
2-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine
CID 169112623
N,N-dimethyl-2-[(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]oxyethanamine
CID 129059958
4-methyl-7-prop-1-en-2-yl-3,5-dihydro-2H-1,4-oxazepine
CID 138571735
1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)oxy-N,N-bis(2-methoxyethyl)propan-2-amine
CID 142074190
N-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]propan-1-amine
CID 142097266
4-[2-(4-Methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]morpholine
CID 142097272
4-[2-[(2Z,4Z)-4-methylhepta-2,4,6-trienoxy]ethyl]morpholine
CID 142845362
2-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)oxy-N,N-dimethylethanamine;methane
CID 142981286
4-[2-[(4Z,6Z,8Z)-8-methyldeca-4,6,8-trien-5-yl]oxyethyl]morpholine
CID 143093213
4-[2-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxyethyl]morpholine
CID 143265861

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[(3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-yl]oxyethyl]-2-methoxyethanamine?
The IUPAC name of N-ethyl-N-[2-[(3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-yl]oxyethyl]-2-methoxyethanamine (CID 142114831) is N-ethyl-N-[2-[(3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-yl]oxyethyl]-2-methoxyethanamine.
What is the SMILES notation for N-ethyl-N-[2-[(3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-yl]oxyethyl]-2-methoxyethanamine?
The canonical SMILES for N-ethyl-N-[2-[(3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-yl]oxyethyl]-2-methoxyethanamine is C=C(OCCN(CC)CCOC)/C(F)=C\C(C)=C/C.
What is the InChIKey of N-ethyl-N-[2-[(3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-yl]oxyethyl]-2-methoxyethanamine?
The InChIKey is RHEWHMYEBODSRO-ZTAWCMRGSA-N. The full InChI is InChI=1S/C15H26FNO2/c1-6-13(3)12-15(16)14(4)19-11-9-17(7-2)8-10-18-5/h6,12H,4,7-11H2,1-3,5H3/b13-6-,15-12+.
What are the key properties of N-ethyl-N-[2-[(3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-yl]oxyethyl]-2-methoxyethanamine?
N-ethyl-N-[2-[(3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-yl]oxyethyl]-2-methoxyethanamine has a molecular weight of 271.38 g/mol, XLogP of 3.30, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[(3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-yl]oxyethyl]-2-methoxyethanamine is sourced from PubChem (CID 142114831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).