N-[5-chloro-2-methoxy-3-(4-methoxyphenyl)-6-[(Z)-prop-1-enyl]phenyl]methanimine;propane

C21H26ClNO2 — CID 142849641

IUPACN-[5-chloro-2-methoxy-3-(4-methoxyphenyl)-6-[(Z)-prop-1-enyl]phenyl]methanimine;propane
SMILESC=Nc1c(/C=C\C)c(Cl)cc(-c2ccc(OC)cc2)c1OC.CCC
InChIInChI=1S/C18H18ClNO2.C3H8/c1-5-6-14-16(19)11-15(18(22-4)17(14)20-2)12-7-9-13(21-3)10-8-12;1-3-2/h5-11H,2H2,1,3-4H3;3H2,1-2H3/b6-5-;
InChIKeyYNLOLQUCHLHNKG-YSMBQZINSA-N
MW359.90 g/mol
LogP6.81
Rot. Bonds5

About N-[5-chloro-2-methoxy-3-(4-methoxyphenyl)-6-[(Z)-prop-1-enyl]phenyl]methanimine;propane

N-[5-chloro-2-methoxy-3-(4-methoxyphenyl)-6-[(Z)-prop-1-enyl]phenyl]methanimine;propane (PubChem CID 142849641) has the molecular formula C21H26ClNO2 and a molecular weight of 359.90 g/mol. Its IUPAC name is N-[5-chloro-2-methoxy-3-(4-methoxyphenyl)-6-[(Z)-prop-1-enyl]phenyl]methanimine;propane.

Molecular Properties

Compound NameN-[5-chloro-2-methoxy-3-(4-methoxyphenyl)-6-[(Z)-prop-1-enyl]phenyl]methanimine;propane
PubChem CID142849641
Molecular FormulaC21H26ClNO2
Molecular Weight359.90 g/mol
Exact Mass359.17
IUPAC NameN-[5-chloro-2-methoxy-3-(4-methoxyphenyl)-6-[(Z)-prop-1-enyl]phenyl]methanimine;propane
SMILESC=Nc1c(/C=C\C)c(Cl)cc(-c2ccc(OC)cc2)c1OC.CCC
InChIInChI=1S/C18H18ClNO2.C3H8/c1-5-6-14-16(19)11-15(18(22-4)17(14)20-2)12-7-9-13(21-3)10-8-12;1-3-2/h5-11H,2H2,1,3-4H3;3H2,1-2H3/b6-5-;
InChIKeyYNLOLQUCHLHNKG-YSMBQZINSA-N
XLogP6.81
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.90
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-methoxy-3-(4-methoxyphenyl)-6-[(Z)-prop-1-enyl]phenyl]methanimine;propane?
The IUPAC name of N-[5-chloro-2-methoxy-3-(4-methoxyphenyl)-6-[(Z)-prop-1-enyl]phenyl]methanimine;propane (CID 142849641) is N-[5-chloro-2-methoxy-3-(4-methoxyphenyl)-6-[(Z)-prop-1-enyl]phenyl]methanimine;propane.
What is the SMILES notation for N-[5-chloro-2-methoxy-3-(4-methoxyphenyl)-6-[(Z)-prop-1-enyl]phenyl]methanimine;propane?
The canonical SMILES for N-[5-chloro-2-methoxy-3-(4-methoxyphenyl)-6-[(Z)-prop-1-enyl]phenyl]methanimine;propane is C=Nc1c(/C=C\C)c(Cl)cc(-c2ccc(OC)cc2)c1OC.CCC.
What is the InChIKey of N-[5-chloro-2-methoxy-3-(4-methoxyphenyl)-6-[(Z)-prop-1-enyl]phenyl]methanimine;propane?
The InChIKey is YNLOLQUCHLHNKG-YSMBQZINSA-N. The full InChI is InChI=1S/C18H18ClNO2.C3H8/c1-5-6-14-16(19)11-15(18(22-4)17(14)20-2)12-7-9-13(21-3)10-8-12;1-3-2/h5-11H,2H2,1,3-4H3;3H2,1-2H3/b6-5-;.
What are the key properties of N-[5-chloro-2-methoxy-3-(4-methoxyphenyl)-6-[(Z)-prop-1-enyl]phenyl]methanimine;propane?
N-[5-chloro-2-methoxy-3-(4-methoxyphenyl)-6-[(Z)-prop-1-enyl]phenyl]methanimine;propane has a molecular weight of 359.90 g/mol, XLogP of 6.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-methoxy-3-(4-methoxyphenyl)-6-[(Z)-prop-1-enyl]phenyl]methanimine;propane is sourced from PubChem (CID 142849641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).