(E)-5-(3-chloro-2-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine

C14H19ClFNO — CID 102864136

IUPAC(E)-5-(3-chloro-2-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
SMILESCOCCNCC/C=C/Cc1cccc(Cl)c1F
InChIInChI=1S/C14H19ClFNO/c1-18-11-10-17-9-4-2-3-6-12-7-5-8-13(15)14(12)16/h2-3,5,7-8,17H,4,6,9-11H2,1H3/b3-2+
InChIKeyLARVJQLIFIGCIW-NSCUHMNNSA-N
MW271.76 g/mol
LogP3.20
Rot. Bonds8

About (E)-5-(3-chloro-2-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine

(E)-5-(3-chloro-2-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine (PubChem CID 102864136) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is (E)-5-(3-chloro-2-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-5-(3-chloro-2-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
PubChem CID102864136
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name(E)-5-(3-chloro-2-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
SMILESCOCCNCC/C=C/Cc1cccc(Cl)c1F
InChIInChI=1S/C14H19ClFNO/c1-18-11-10-17-9-4-2-3-6-12-7-5-8-13(15)14(12)16/h2-3,5,7-8,17H,4,6,9-11H2,1H3/b3-2+
InChIKeyLARVJQLIFIGCIW-NSCUHMNNSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.20
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

(E)-5-(4-chloro-3-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 114013102
(E)-5-(3-chloro-2-fluorophenyl)pent-3-en-1-amine
CID 102864119
N-[2-(3-chloro-2-fluorophenoxy)ethyl]-2-methoxyethanamine
CID 116690537
5-(2-bromo-4-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 79598285
5-(2-bromo-5-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 79598413
(E)-5-(2,3-dichlorophenyl)-N-propylpent-3-en-1-amine
CID 107310959
4-(2-chlorophenyl)-N-(2-methoxyethyl)but-3-en-1-amine
CID 79598671
2-(2,3-dichlorophenyl)-N-(2-methoxyethyl)ethanamine
CID 62800794
N-(2-methoxyethyl)-5-thiophen-2-ylpent-3-en-1-amine
CID 79599821
2-[(3-chloro-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 115695765
4-(3-chlorophenyl)-N-(2-methoxyethyl)but-3-en-1-amine
CID 79598026
N'-[(2-chloro-3-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine
CID 113410553

Frequently Asked Questions

What is the IUPAC name of (E)-5-(3-chloro-2-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine?
The IUPAC name of (E)-5-(3-chloro-2-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine (CID 102864136) is (E)-5-(3-chloro-2-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine.
What is the SMILES notation for (E)-5-(3-chloro-2-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine?
The canonical SMILES for (E)-5-(3-chloro-2-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine is COCCNCC/C=C/Cc1cccc(Cl)c1F.
What is the InChIKey of (E)-5-(3-chloro-2-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine?
The InChIKey is LARVJQLIFIGCIW-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-18-11-10-17-9-4-2-3-6-12-7-5-8-13(15)14(12)16/h2-3,5,7-8,17H,4,6,9-11H2,1H3/b3-2+.
What are the key properties of (E)-5-(3-chloro-2-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine?
(E)-5-(3-chloro-2-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine has a molecular weight of 271.76 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(3-chloro-2-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine is sourced from PubChem (CID 102864136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).