(Z)-N-(2-aminoethoxy)-1-(4-fluorophenyl)-5-methoxypent-1-en-1-amine

C14H21FN2O2 — CID 123228856

IUPAC(Z)-N-(2-aminoethoxy)-1-(4-fluorophenyl)-5-methoxypent-1-en-1-amine
SMILESCOCCC/C=C(\NOCCN)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O2/c1-18-10-3-2-4-14(17-19-11-9-16)12-5-7-13(15)8-6-12/h4-8,17H,2-3,9-11,16H2,1H3/b14-4-
InChIKeyQJRJBKKDHACKSD-CPSFFCFKSA-N
MW268.33 g/mol
LogP2.07
Rot. Bonds9

About (Z)-N-(2-aminoethoxy)-1-(4-fluorophenyl)-5-methoxypent-1-en-1-amine

(Z)-N-(2-aminoethoxy)-1-(4-fluorophenyl)-5-methoxypent-1-en-1-amine (PubChem CID 123228856) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is (Z)-N-(2-aminoethoxy)-1-(4-fluorophenyl)-5-methoxypent-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-(2-aminoethoxy)-1-(4-fluorophenyl)-5-methoxypent-1-en-1-amine
PubChem CID123228856
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name(Z)-N-(2-aminoethoxy)-1-(4-fluorophenyl)-5-methoxypent-1-en-1-amine
SMILESCOCCC/C=C(\NOCCN)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O2/c1-18-10-3-2-4-14(17-19-11-9-16)12-5-7-13(15)8-6-12/h4-8,17H,2-3,9-11,16H2,1H3/b14-4-
InChIKeyQJRJBKKDHACKSD-CPSFFCFKSA-N
XLogP2.07
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.07
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'}

Analyze (Z)-N-(2-aminoethoxy)-1-(4-fluorophenyl)-5-methoxypent-1-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

Benzenemethanamine, 3-fluoro-N-methoxy-
CID 12146886
Ethoxy[(4-fluorophenyl)methyl]amine
CID 12146891
Benzenemethanamine, 4-fluoro-N-methoxy-
CID 12147060
n-(4-Fluorobenzyl)-o-isobutyl-hydroxylamine
CID 21947412
1-(2-Fluorophenyl)-N-methoxymethanamine
CID 21947485
N-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine
CID 54359408
3-(Benzylamino)oxy-2-fluoropropan-1-amine
CID 21653004
n-[1-(4-Fluoro-phenyl)-ethyl]-o-methyl-hydroxylamine
CID 22485632
o-(2-Dimethylamino-ethyl)-n-(4-fluorobenzyl)-hydroxylamine
CID 23499563
N-ethenoxy-1-(4-fluorophenyl)methanamine
CID 23559810
1-(2,4-difluorophenyl)-N-methoxyethenamine
CID 57050334
1-(3,4-difluorophenyl)-N-methoxyethenamine
CID 57058181

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-aminoethoxy)-1-(4-fluorophenyl)-5-methoxypent-1-en-1-amine?
The IUPAC name of (Z)-N-(2-aminoethoxy)-1-(4-fluorophenyl)-5-methoxypent-1-en-1-amine (CID 123228856) is (Z)-N-(2-aminoethoxy)-1-(4-fluorophenyl)-5-methoxypent-1-en-1-amine.
What is the SMILES notation for (Z)-N-(2-aminoethoxy)-1-(4-fluorophenyl)-5-methoxypent-1-en-1-amine?
The canonical SMILES for (Z)-N-(2-aminoethoxy)-1-(4-fluorophenyl)-5-methoxypent-1-en-1-amine is COCCC/C=C(\NOCCN)c1ccc(F)cc1.
What is the InChIKey of (Z)-N-(2-aminoethoxy)-1-(4-fluorophenyl)-5-methoxypent-1-en-1-amine?
The InChIKey is QJRJBKKDHACKSD-CPSFFCFKSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-18-10-3-2-4-14(17-19-11-9-16)12-5-7-13(15)8-6-12/h4-8,17H,2-3,9-11,16H2,1H3/b14-4-.
What are the key properties of (Z)-N-(2-aminoethoxy)-1-(4-fluorophenyl)-5-methoxypent-1-en-1-amine?
(Z)-N-(2-aminoethoxy)-1-(4-fluorophenyl)-5-methoxypent-1-en-1-amine has a molecular weight of 268.33 g/mol, XLogP of 2.07, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-aminoethoxy)-1-(4-fluorophenyl)-5-methoxypent-1-en-1-amine is sourced from PubChem (CID 123228856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).