N-[(Z)-(5-chloro-2-propoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine

C18H21ClN2O2 — CID 29148109

IUPACN-[(Z)-(5-chloro-2-propoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
SMILESCCCOc1ccc(Cl)cc1/C=N\NCc1ccccc1OC
InChIInChI=1S/C18H21ClN2O2/c1-3-10-23-18-9-8-16(19)11-15(18)13-21-20-12-14-6-4-5-7-17(14)22-2/h4-9,11,13,20H,3,10,12H2,1-2H3/b21-13-
InChIKeyHSSMREKFDIMUAW-BKUYFWCQSA-N
MW332.83 g/mol
LogP4.26
Rot. Bonds8

About N-[(Z)-(5-chloro-2-propoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine

N-[(Z)-(5-chloro-2-propoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine (PubChem CID 29148109) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-[(Z)-(5-chloro-2-propoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(Z)-(5-chloro-2-propoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
PubChem CID29148109
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC NameN-[(Z)-(5-chloro-2-propoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
SMILESCCCOc1ccc(Cl)cc1/C=N\NCc1ccccc1OC
InChIInChI=1S/C18H21ClN2O2/c1-3-10-23-18-9-8-16(19)11-15(18)13-21-20-12-14-6-4-5-7-17(14)22-2/h4-9,11,13,20H,3,10,12H2,1-2H3/b21-13-
InChIKeyHSSMREKFDIMUAW-BKUYFWCQSA-N
XLogP4.26
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245918
N-[(Z)-[5-chloro-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29148134
N-[(Z)-(3-chlorophenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147718
1-(3,4-dimethoxyphenyl)-N-[(Z)-(2-propoxyphenyl)methylideneamino]methanamine
CID 92658395
1-(2-methoxyphenyl)-N-[(E)-(5-methoxy-2-prop-2-ynoxyphenyl)methylideneamino]methanamine
CID 17245574
1-(2-methoxyphenyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]methanamine
CID 29147383
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147443
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147564
3-chloro-4-methoxy-N-[(E)-(2-propoxyphenyl)methylideneamino]aniline
CID 110505389
N-[(E)-[5-chloro-2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]acetamide
CID 45146402
N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147830
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245582

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-chloro-2-propoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine?
The IUPAC name of N-[(Z)-(5-chloro-2-propoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine (CID 29148109) is N-[(Z)-(5-chloro-2-propoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine.
What is the SMILES notation for N-[(Z)-(5-chloro-2-propoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine?
The canonical SMILES for N-[(Z)-(5-chloro-2-propoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine is CCCOc1ccc(Cl)cc1/C=N\NCc1ccccc1OC.
What is the InChIKey of N-[(Z)-(5-chloro-2-propoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine?
The InChIKey is HSSMREKFDIMUAW-BKUYFWCQSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-3-10-23-18-9-8-16(19)11-15(18)13-21-20-12-14-6-4-5-7-17(14)22-2/h4-9,11,13,20H,3,10,12H2,1-2H3/b21-13-.
What are the key properties of N-[(Z)-(5-chloro-2-propoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine?
N-[(Z)-(5-chloro-2-propoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine has a molecular weight of 332.83 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-chloro-2-propoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine is sourced from PubChem (CID 29148109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).