(E)-5-(4-chloro-3-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine

C14H19ClFNO — CID 114013102

IUPAC(E)-5-(4-chloro-3-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
SMILESCOCCNCC/C=C/Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H19ClFNO/c1-18-10-9-17-8-4-2-3-5-12-6-7-13(15)14(16)11-12/h2-3,6-7,11,17H,4-5,8-10H2,1H3/b3-2+
InChIKeyMHTNNQIPNZRUNQ-NSCUHMNNSA-N
MW271.76 g/mol
LogP3.20
Rot. Bonds8

About (E)-5-(4-chloro-3-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine

(E)-5-(4-chloro-3-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine (PubChem CID 114013102) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is (E)-5-(4-chloro-3-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-5-(4-chloro-3-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
PubChem CID114013102
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name(E)-5-(4-chloro-3-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
SMILESCOCCNCC/C=C/Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H19ClFNO/c1-18-10-9-17-8-4-2-3-5-12-6-7-13(15)14(16)11-12/h2-3,6-7,11,17H,4-5,8-10H2,1H3/b3-2+
InChIKeyMHTNNQIPNZRUNQ-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'}

Analyze (E)-5-(4-chloro-3-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-bromo-4-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 79597915
5-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 79599332
(E)-5-(3-chloro-2-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 102864136
1-(4-chloro-3-fluorophenyl)-3-(2-methoxyethylamino)propan-2-ol
CID 107889050
2-[(4-chloro-3-fluorophenyl)methyl]-N-(2-methoxyethyl)butan-1-amine
CID 107897425
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
4-chloro-3-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 107990784
5-(3-bromo-4-fluorophenyl)-N-propylpent-3-en-1-amine
CID 79593419
4-(2-chlorophenyl)-N-(2-methoxyethyl)but-3-en-1-amine
CID 79598671
N-[[3-[(4-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methoxyethanamine
CID 107888058
N-[(4-chloro-3-fluorophenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588223

Frequently Asked Questions

What is the IUPAC name of (E)-5-(4-chloro-3-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine?
The IUPAC name of (E)-5-(4-chloro-3-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine (CID 114013102) is (E)-5-(4-chloro-3-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine.
What is the SMILES notation for (E)-5-(4-chloro-3-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine?
The canonical SMILES for (E)-5-(4-chloro-3-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine is COCCNCC/C=C/Cc1ccc(Cl)c(F)c1.
What is the InChIKey of (E)-5-(4-chloro-3-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine?
The InChIKey is MHTNNQIPNZRUNQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-18-10-9-17-8-4-2-3-5-12-6-7-13(15)14(16)11-12/h2-3,6-7,11,17H,4-5,8-10H2,1H3/b3-2+.
What are the key properties of (E)-5-(4-chloro-3-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine?
(E)-5-(4-chloro-3-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-(4-chloro-3-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine is sourced from PubChem (CID 114013102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).