(Z)-N-[2-[6-(2,3-dichloro-4-fluorophenyl)-5-ethoxy-4-methyl-2-pyridinyl]ethyl]prop-1-en-1-amine

C19H21Cl2FN2O — CID 169234030

IUPAC(Z)-N-[2-[6-(2,3-dichloro-4-fluorophenyl)-5-ethoxy-4-methyl-2-pyridinyl]ethyl]prop-1-en-1-amine
SMILESC/C=C\NCCc1cc(C)c(OCC)c(-c2ccc(F)c(Cl)c2Cl)n1
InChIInChI=1S/C19H21Cl2FN2O/c1-4-9-23-10-8-13-11-12(3)19(25-5-2)18(24-13)14-6-7-15(22)17(21)16(14)20/h4,6-7,9,11,23H,5,8,10H2,1-3H3/b9-4-
InChIKeyVKZRIWXWZIKCLT-WTKPLQERSA-N
MW383.29 g/mol
LogP5.57
Rot. Bonds7

About (Z)-N-[2-[6-(2,3-dichloro-4-fluorophenyl)-5-ethoxy-4-methyl-2-pyridinyl]ethyl]prop-1-en-1-amine

(Z)-N-[2-[6-(2,3-dichloro-4-fluorophenyl)-5-ethoxy-4-methyl-2-pyridinyl]ethyl]prop-1-en-1-amine (PubChem CID 169234030) has the molecular formula C19H21Cl2FN2O and a molecular weight of 383.29 g/mol. Its IUPAC name is (Z)-N-[2-[6-(2,3-dichloro-4-fluorophenyl)-5-ethoxy-4-methyl-2-pyridinyl]ethyl]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-[2-[6-(2,3-dichloro-4-fluorophenyl)-5-ethoxy-4-methyl-2-pyridinyl]ethyl]prop-1-en-1-amine
PubChem CID169234030
Molecular FormulaC19H21Cl2FN2O
Molecular Weight383.29 g/mol
Exact Mass382.10
IUPAC Name(Z)-N-[2-[6-(2,3-dichloro-4-fluorophenyl)-5-ethoxy-4-methyl-2-pyridinyl]ethyl]prop-1-en-1-amine
SMILESC/C=C\NCCc1cc(C)c(OCC)c(-c2ccc(F)c(Cl)c2Cl)n1
InChIInChI=1S/C19H21Cl2FN2O/c1-4-9-23-10-8-13-11-12(3)19(25-5-2)18(24-13)14-6-7-15(22)17(21)16(14)20/h4,6-7,9,11,23H,5,8,10H2,1-3H3/b9-4-
InChIKeyVKZRIWXWZIKCLT-WTKPLQERSA-N
XLogP5.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.29
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (Z)-N-[2-[6-(2,3-dichloro-4-fluorophenyl)-5-ethoxy-4-methyl-2-pyridinyl]ethyl]prop-1-en-1-amine with MolForge

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Related Compounds

3-[[4-[(3,4-Dichlorophenyl)methyl]piperidin-4-yl]methoxy]pyridine
CID 134693742
3-[[(3S)-3-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine
CID 155555548
3-[[3-[(3,4-Dichlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine
CID 155514276
3-[[(3R)-3-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine
CID 155520979
3-[[3-[(2,3-Dichlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine
CID 155532704
US10155760, Example 154
CID 118429734
US10155760, Example 156
CID 118429797
US10155760, Example 142
CID 118429968
US10155760, Example 167
CID 118429442
(1R)-1-(3-chlorophenyl)-N-[[6-(3-fluorophenyl)-5-methoxy-2-pyridinyl]methyl]ethanamine
CID 45377852
Methyl 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboximidate
CID 57657724
8-(3-Chloro-4-fluorophenyl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine
CID 57697548

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-[6-(2,3-dichloro-4-fluorophenyl)-5-ethoxy-4-methyl-2-pyridinyl]ethyl]prop-1-en-1-amine?
The IUPAC name of (Z)-N-[2-[6-(2,3-dichloro-4-fluorophenyl)-5-ethoxy-4-methyl-2-pyridinyl]ethyl]prop-1-en-1-amine (CID 169234030) is (Z)-N-[2-[6-(2,3-dichloro-4-fluorophenyl)-5-ethoxy-4-methyl-2-pyridinyl]ethyl]prop-1-en-1-amine.
What is the SMILES notation for (Z)-N-[2-[6-(2,3-dichloro-4-fluorophenyl)-5-ethoxy-4-methyl-2-pyridinyl]ethyl]prop-1-en-1-amine?
The canonical SMILES for (Z)-N-[2-[6-(2,3-dichloro-4-fluorophenyl)-5-ethoxy-4-methyl-2-pyridinyl]ethyl]prop-1-en-1-amine is C/C=C\NCCc1cc(C)c(OCC)c(-c2ccc(F)c(Cl)c2Cl)n1.
What is the InChIKey of (Z)-N-[2-[6-(2,3-dichloro-4-fluorophenyl)-5-ethoxy-4-methyl-2-pyridinyl]ethyl]prop-1-en-1-amine?
The InChIKey is VKZRIWXWZIKCLT-WTKPLQERSA-N. The full InChI is InChI=1S/C19H21Cl2FN2O/c1-4-9-23-10-8-13-11-12(3)19(25-5-2)18(24-13)14-6-7-15(22)17(21)16(14)20/h4,6-7,9,11,23H,5,8,10H2,1-3H3/b9-4-.
What are the key properties of (Z)-N-[2-[6-(2,3-dichloro-4-fluorophenyl)-5-ethoxy-4-methyl-2-pyridinyl]ethyl]prop-1-en-1-amine?
(Z)-N-[2-[6-(2,3-dichloro-4-fluorophenyl)-5-ethoxy-4-methyl-2-pyridinyl]ethyl]prop-1-en-1-amine has a molecular weight of 383.29 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-[6-(2,3-dichloro-4-fluorophenyl)-5-ethoxy-4-methyl-2-pyridinyl]ethyl]prop-1-en-1-amine is sourced from PubChem (CID 169234030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).