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

C14H19BrFN — CID 79593419

IUPAC5-(3-bromo-4-fluorophenyl)-N-propylpent-3-en-1-amine
SMILESCCCNCCC=CCc1ccc(F)c(Br)c1
InChIInChI=1S/C14H19BrFN/c1-2-9-17-10-5-3-4-6-12-7-8-14(16)13(15)11-12/h3-4,7-8,11,17H,2,5-6,9-10H2,1H3
InChIKeyWNOHDPRPQYPSQA-UHFFFAOYSA-N
MW300.22 g/mol
LogP4.08
Rot. Bonds7

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

5-(3-bromo-4-fluorophenyl)-N-propylpent-3-en-1-amine (PubChem CID 79593419) has the molecular formula C14H19BrFN and a molecular weight of 300.22 g/mol. Its IUPAC name is 5-(3-bromo-4-fluorophenyl)-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Name5-(3-bromo-4-fluorophenyl)-N-propylpent-3-en-1-amine
PubChem CID79593419
Molecular FormulaC14H19BrFN
Molecular Weight300.22 g/mol
Exact Mass299.07
IUPAC Name5-(3-bromo-4-fluorophenyl)-N-propylpent-3-en-1-amine
SMILESCCCNCCC=CCc1ccc(F)c(Br)c1
InChIInChI=1S/C14H19BrFN/c1-2-9-17-10-5-3-4-6-12-7-8-14(16)13(15)11-12/h3-4,7-8,11,17H,2,5-6,9-10H2,1H3
InChIKeyWNOHDPRPQYPSQA-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 54.08
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-bromo-4-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 79597915
5-(2-bromo-5-fluorophenyl)-N-propylpent-3-en-1-amine
CID 79591063
5-(4-methylphenyl)-N-propylpent-3-en-1-amine
CID 79591599
4-(3-bromo-4-fluorophenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 81022999
(E)-5-(2,6-difluorophenyl)-N-propylpent-3-en-1-amine
CID 114935075
N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclopropyl]methyl]propan-1-amine
CID 66024671
5-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 79599332
2-[(3-bromo-4-fluorophenyl)methyl]-N-propylpentan-1-amine
CID 55197357
2-[(3-bromo-4-fluorophenyl)methyl]-3-methyl-N-propylbutan-1-amine
CID 63523291
N'-[(3-bromo-4-fluorophenyl)methyl]-N-ethylethane-1,2-diamine
CID 107951053
5-(4-bromothiophen-2-yl)-N-propylpent-3-en-1-amine
CID 79592758
N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 63507129

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-fluorophenyl)-N-propylpent-3-en-1-amine?
The IUPAC name of 5-(3-bromo-4-fluorophenyl)-N-propylpent-3-en-1-amine (CID 79593419) is 5-(3-bromo-4-fluorophenyl)-N-propylpent-3-en-1-amine.
What is the SMILES notation for 5-(3-bromo-4-fluorophenyl)-N-propylpent-3-en-1-amine?
The canonical SMILES for 5-(3-bromo-4-fluorophenyl)-N-propylpent-3-en-1-amine is CCCNCCC=CCc1ccc(F)c(Br)c1.
What is the InChIKey of 5-(3-bromo-4-fluorophenyl)-N-propylpent-3-en-1-amine?
The InChIKey is WNOHDPRPQYPSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-2-9-17-10-5-3-4-6-12-7-8-14(16)13(15)11-12/h3-4,7-8,11,17H,2,5-6,9-10H2,1H3.
What are the key properties of 5-(3-bromo-4-fluorophenyl)-N-propylpent-3-en-1-amine?
5-(3-bromo-4-fluorophenyl)-N-propylpent-3-en-1-amine has a molecular weight of 300.22 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-fluorophenyl)-N-propylpent-3-en-1-amine is sourced from PubChem (CID 79593419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).