5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine

C16H24FNO2 — CID 79607656

IUPAC5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
SMILESCOCCNCCC=C(C)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C16H24FNO2/c1-13(5-4-8-18-9-10-19-2)11-14-6-7-16(20-3)15(17)12-14/h5-7,12,18H,4,8-11H2,1-3H3
InChIKeyVTGTVFDSRBLEAK-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.95
Rot. Bonds9

About 5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine

5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine (PubChem CID 79607656) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
PubChem CID79607656
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
SMILESCOCCNCCC=C(C)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C16H24FNO2/c1-13(5-4-8-18-9-10-19-2)11-14-6-7-16(20-3)15(17)12-14/h5-7,12,18H,4,8-11H2,1-3H3
InChIKeyVTGTVFDSRBLEAK-UHFFFAOYSA-N
XLogP2.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-fluoro-4-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 79598736
N-ethyl-5-(3-fluoro-4-methoxyphenyl)-4-methylpent-3-en-1-amine
CID 79599741
5-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
CID 79607658
N-(2-methoxyethyl)-4-methyl-5-pyridin-4-ylpent-3-en-1-amine
CID 79606913
4-[5-(2-methoxyethylamino)-2-methylpent-2-enyl]pyridin-2-amine
CID 79607063
(Z)-4-(5-fluoro-2-methoxyphenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 82782510
(Z)-5-(4-chloro-3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 114013103
2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxypropyl)acetamide
CID 110766984
(Z)-5-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine
CID 107889142
1-(3-fluoro-4-methoxyphenyl)-4-methoxybutan-2-one
CID 62620066
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119774859
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667128

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine (CID 79607656) is 5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine?
The canonical SMILES for 5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine is COCCNCCC=C(C)Cc1ccc(OC)c(F)c1.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine?
The InChIKey is VTGTVFDSRBLEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-13(5-4-8-18-9-10-19-2)11-14-6-7-16(20-3)15(17)12-14/h5-7,12,18H,4,8-11H2,1-3H3.
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine?
5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine has a molecular weight of 281.37 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine is sourced from PubChem (CID 79607656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).