N-(3-chloro-4-methoxyphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine

C16H17ClN2O3 — CID 126015628

IUPACN-(3-chloro-4-methoxyphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine
SMILESCOc1ccc(/N=C/c2ccc(N3CCOCC3)o2)cc1Cl
InChIInChI=1S/C16H17ClN2O3/c1-20-15-4-2-12(10-14(15)17)18-11-13-3-5-16(22-13)19-6-8-21-9-7-19/h2-5,10-11H,6-9H2,1H3/b18-11+
InChIKeyRHUBDHPZGFBCMA-WOJGMQOQSA-N
MW320.78 g/mol
LogP3.53
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine

N-(3-chloro-4-methoxyphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine (PubChem CID 126015628) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine
PubChem CID126015628
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine
SMILESCOc1ccc(/N=C/c2ccc(N3CCOCC3)o2)cc1Cl
InChIInChI=1S/C16H17ClN2O3/c1-20-15-4-2-12(10-14(15)17)18-11-13-3-5-16(22-13)19-6-8-21-9-7-19/h2-5,10-11H,6-9H2,1H3/b18-11+
InChIKeyRHUBDHPZGFBCMA-WOJGMQOQSA-N
XLogP3.53
TPSA47.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(3-chloro-4-methoxyphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine (CID 126015628) is N-(3-chloro-4-methoxyphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine is COc1ccc(/N=C/c2ccc(N3CCOCC3)o2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine?
The InChIKey is RHUBDHPZGFBCMA-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-20-15-4-2-12(10-14(15)17)18-11-13-3-5-16(22-13)19-6-8-21-9-7-19/h2-5,10-11H,6-9H2,1H3/b18-11+.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine?
N-(3-chloro-4-methoxyphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine has a molecular weight of 320.78 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine is sourced from PubChem (CID 126015628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).