5-(3-fluoro-4-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine

C16H24FNO — CID 79598736

IUPAC5-(3-fluoro-4-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine
SMILESCCCNCCC=C(C)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C16H24FNO/c1-4-9-18-10-5-6-13(2)11-14-7-8-16(19-3)15(17)12-14/h6-8,12,18H,4-5,9-11H2,1-3H3
InChIKeyMWKIWOPTHKCPLU-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.71
Rot. Bonds8

About 5-(3-fluoro-4-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine

5-(3-fluoro-4-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine (PubChem CID 79598736) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine
PubChem CID79598736
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name5-(3-fluoro-4-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine
SMILESCCCNCCC=C(C)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C16H24FNO/c1-4-9-18-10-5-6-13(2)11-14-7-8-16(19-3)15(17)12-14/h6-8,12,18H,4-5,9-11H2,1-3H3
InChIKeyMWKIWOPTHKCPLU-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-ethyl-5-(3-fluoro-4-methoxyphenyl)-4-methylpent-3-en-1-amine
CID 79599741
5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
CID 79607656
(Z)-5-(4-chloro-3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 114013103
5-(2-methoxy-5-methylphenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 79598208
(Z)-5-(3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 79599377
5-(2-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 79598739
1-(3-fluoro-4-methoxyphenyl)-3-(propylamino)propan-2-one
CID 116562712
5-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
CID 79607658
(Z)-5-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine
CID 107889142
2-[2-(3-fluoro-4-methoxyphenyl)ethylamino]ethanol
CID 94681852
N-ethyl-5-(2-methoxyphenyl)-4-methylpent-3-en-1-amine
CID 79599249
N-[2-[1-[(3-fluoro-4-methoxyphenyl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 79971964

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine (CID 79598736) is 5-(3-fluoro-4-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine?
The canonical SMILES for 5-(3-fluoro-4-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine is CCCNCCC=C(C)Cc1ccc(OC)c(F)c1.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine?
The InChIKey is MWKIWOPTHKCPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-4-9-18-10-5-6-13(2)11-14-7-8-16(19-3)15(17)12-14/h6-8,12,18H,4-5,9-11H2,1-3H3.
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine?
5-(3-fluoro-4-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine has a molecular weight of 265.37 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine is sourced from PubChem (CID 79598736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).