N-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methylmethanamine

C16H17ClN2O — CID 110339528

IUPACN-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methylmethanamine
SMILESCN(C)/N=C/c1ccccc1OCc1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-19(2)18-11-14-7-3-4-9-16(14)20-12-13-6-5-8-15(17)10-13/h3-11H,12H2,1-2H3/b18-11+
InChIKeyBIQFYLTVMFHPIE-WOJGMQOQSA-N
MW288.78 g/mol
LogP3.81
Rot. Bonds5

About N-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methylmethanamine

N-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methylmethanamine (PubChem CID 110339528) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methylmethanamine
PubChem CID110339528
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methylmethanamine
SMILESCN(C)/N=C/c1ccccc1OCc1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-19(2)18-11-14-7-3-4-9-16(14)20-12-13-6-5-8-15(17)10-13/h3-11H,12H2,1-2H3/b18-11+
InChIKeyBIQFYLTVMFHPIE-WOJGMQOQSA-N
XLogP3.81
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine
CID 110339527
[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 6876815
3-chloro-N-[(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 78597661
2-[(3-chlorophenyl)methoxy]phenol
CID 18947333
1-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629237
1-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-3-phenylthiourea
CID 3668306
4-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
CID 110339532
N-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]methanamine
CID 110507385
(E)-N-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[2-[(3-chlorophenyl)methoxy]phenyl]methanimine
CID 71652832
1-tert-butyl-2-[(3-chlorophenyl)methoxy]benzene
CID 64765327
3-acetamido-N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3974283
3-chloro-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110840263

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methylmethanamine?
The IUPAC name of N-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methylmethanamine (CID 110339528) is N-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methylmethanamine is CN(C)/N=C/c1ccccc1OCc1cccc(Cl)c1.
What is the InChIKey of N-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methylmethanamine?
The InChIKey is BIQFYLTVMFHPIE-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-19(2)18-11-14-7-3-4-9-16(14)20-12-13-6-5-8-15(17)10-13/h3-11H,12H2,1-2H3/b18-11+.
What are the key properties of N-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methylmethanamine?
N-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methylmethanamine has a molecular weight of 288.78 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methylmethanamine is sourced from PubChem (CID 110339528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).