(Z)-5-(3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine

C15H22FN — CID 79599377

IUPAC(Z)-5-(3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine
SMILESCCCNCC/C=C(/C)Cc1cccc(F)c1
InChIInChI=1S/C15H22FN/c1-3-9-17-10-5-6-13(2)11-14-7-4-8-15(16)12-14/h4,6-8,12,17H,3,5,9-11H2,1-2H3/b13-6-
InChIKeyPQMTVONFIMSKPB-MLPAPPSSSA-N
MW235.35 g/mol
LogP3.70
Rot. Bonds7

About (Z)-5-(3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine

(Z)-5-(3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine (PubChem CID 79599377) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is (Z)-5-(3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-5-(3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine
PubChem CID79599377
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name(Z)-5-(3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine
SMILESCCCNCC/C=C(/C)Cc1cccc(F)c1
InChIInChI=1S/C15H22FN/c1-3-9-17-10-5-6-13(2)11-14-7-4-8-15(16)12-14/h4,6-8,12,17H,3,5,9-11H2,1-2H3/b13-6-
InChIKeyPQMTVONFIMSKPB-MLPAPPSSSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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
4-methyl-5-(2-methylphenyl)-N-propylpent-3-en-1-amine
CID 79599626
4-(2,5-difluorophenyl)-N-propylpent-3-en-1-amine
CID 79598982
5-(2-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 79598739
but-3-en-2-ol;ethane;N-[(3-fluorophenyl)methyl]propan-1-amine
CID 142275035
5-(3-chlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607300
4-(3-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 64666671
5-(4-fluorophenyl)-N,4-dimethylpent-3-en-1-amine
CID 79599451
5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
CID 79607656
(Z)-5-(2-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine
CID 112654998
N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 62593443
(Z)-4-methyl-5-(1-methylpyrazol-3-yl)-N-propylpent-3-en-1-amine
CID 82881878

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine?
The IUPAC name of (Z)-5-(3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine (CID 79599377) is (Z)-5-(3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine.
What is the SMILES notation for (Z)-5-(3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine?
The canonical SMILES for (Z)-5-(3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine is CCCNCC/C=C(/C)Cc1cccc(F)c1.
What is the InChIKey of (Z)-5-(3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine?
The InChIKey is PQMTVONFIMSKPB-MLPAPPSSSA-N. The full InChI is InChI=1S/C15H22FN/c1-3-9-17-10-5-6-13(2)11-14-7-4-8-15(16)12-14/h4,6-8,12,17H,3,5,9-11H2,1-2H3/b13-6-.
What are the key properties of (Z)-5-(3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine?
(Z)-5-(3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine is sourced from PubChem (CID 79599377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).