N-(2-aminoethoxy)-1-(4-chlorophenyl)-5-ethoxypent-1-en-1-amine

C15H23ClN2O2 — CID 90781218

IUPACN-(2-aminoethoxy)-1-(4-chlorophenyl)-5-ethoxypent-1-en-1-amine
SMILESCCOCCCC=C(NOCCN)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O2/c1-2-19-11-4-3-5-15(18-20-12-10-17)13-6-8-14(16)9-7-13/h5-9,18H,2-4,10-12,17H2,1H3
InChIKeyAYUVMRAZKTYURS-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.98
Rot. Bonds10

About N-(2-aminoethoxy)-1-(4-chlorophenyl)-5-ethoxypent-1-en-1-amine

N-(2-aminoethoxy)-1-(4-chlorophenyl)-5-ethoxypent-1-en-1-amine (PubChem CID 90781218) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is N-(2-aminoethoxy)-1-(4-chlorophenyl)-5-ethoxypent-1-en-1-amine.

Molecular Properties

Compound NameN-(2-aminoethoxy)-1-(4-chlorophenyl)-5-ethoxypent-1-en-1-amine
PubChem CID90781218
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC NameN-(2-aminoethoxy)-1-(4-chlorophenyl)-5-ethoxypent-1-en-1-amine
SMILESCCOCCCC=C(NOCCN)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O2/c1-2-19-11-4-3-5-15(18-20-12-10-17)13-6-8-14(16)9-7-13/h5-9,18H,2-4,10-12,17H2,1H3
InChIKeyAYUVMRAZKTYURS-UHFFFAOYSA-N
XLogP2.98
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(4-Chlorophenyl)methyl](methoxy)amine
CID 12482322
(Z)-N-(2-aminoethoxy)-1-(4-fluorophenyl)-5-methoxypent-1-en-1-amine
CID 123228856
2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine
CID 3046188
1-(4-chloro-3-fluorophenyl)-N-ethoxymethanamine
CID 82710193
1-(4-chloro-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine
CID 82715114
1-(4-chloro-3-fluorophenyl)-N-ethoxyethanamine
CID 83069552
1-(4-chloro-3-fluorophenyl)-N-(2-methylpropoxy)ethanamine
CID 83069632
1-(4-chloro-3-fluorophenyl)-N-(2-methoxyethoxy)ethanamine
CID 83069709
1-(4-chloro-2-fluorophenyl)-N-ethoxymethanamine
CID 114842561
1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethoxy)methanamine
CID 114842569
1-(4-chlorophenyl)-N-ethenoxymethanamine
CID 23559792
6-[(4-chlorophenyl)methylidene]-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine
CID 56613448

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethoxy)-1-(4-chlorophenyl)-5-ethoxypent-1-en-1-amine?
The IUPAC name of N-(2-aminoethoxy)-1-(4-chlorophenyl)-5-ethoxypent-1-en-1-amine (CID 90781218) is N-(2-aminoethoxy)-1-(4-chlorophenyl)-5-ethoxypent-1-en-1-amine.
What is the SMILES notation for N-(2-aminoethoxy)-1-(4-chlorophenyl)-5-ethoxypent-1-en-1-amine?
The canonical SMILES for N-(2-aminoethoxy)-1-(4-chlorophenyl)-5-ethoxypent-1-en-1-amine is CCOCCCC=C(NOCCN)c1ccc(Cl)cc1.
What is the InChIKey of N-(2-aminoethoxy)-1-(4-chlorophenyl)-5-ethoxypent-1-en-1-amine?
The InChIKey is AYUVMRAZKTYURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-2-19-11-4-3-5-15(18-20-12-10-17)13-6-8-14(16)9-7-13/h5-9,18H,2-4,10-12,17H2,1H3.
What are the key properties of N-(2-aminoethoxy)-1-(4-chlorophenyl)-5-ethoxypent-1-en-1-amine?
N-(2-aminoethoxy)-1-(4-chlorophenyl)-5-ethoxypent-1-en-1-amine has a molecular weight of 298.81 g/mol, XLogP of 2.98, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethoxy)-1-(4-chlorophenyl)-5-ethoxypent-1-en-1-amine is sourced from PubChem (CID 90781218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).