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

C15H15ClN2O — CID 110340663

IUPACN-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine
SMILESCN/N=C/c1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C15H15ClN2O/c1-17-18-10-12-5-4-7-14(9-12)19-11-13-6-2-3-8-15(13)16/h2-10,17H,11H2,1H3/b18-10+
InChIKeyYARZXHAIYSYQPT-VCHYOVAHSA-N
MW274.75 g/mol
LogP3.47
Rot. Bonds5

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

N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine (PubChem CID 110340663) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine.

Molecular Properties

Compound NameN-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine
PubChem CID110340663
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC NameN-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine
SMILESCN/N=C/c1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C15H15ClN2O/c1-17-18-10-12-5-4-7-14(9-12)19-11-13-6-2-3-8-15(13)16/h2-10,17H,11H2,1H3/b18-10+
InChIKeyYARZXHAIYSYQPT-VCHYOVAHSA-N
XLogP3.47
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.47
H-Bond Donors ≤ 51
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)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19060113
1-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-methylthiourea
CID 4164243
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 20987989
N-[(E)-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]methanamine
CID 110340711
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]methanamine
CID 110337182
1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126209712
N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pyridine-2-carboxamide
CID 9194640
1-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-phenylthiourea
CID 3680304
4-amino-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 9034423
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide
CID 27525499
2-amino-N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 21370994
3-acetamido-N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3569074

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine?
The IUPAC name of N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine (CID 110340663) is N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine.
What is the SMILES notation for N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine?
The canonical SMILES for N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine is CN/N=C/c1cccc(OCc2ccccc2Cl)c1.
What is the InChIKey of N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine?
The InChIKey is YARZXHAIYSYQPT-VCHYOVAHSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-17-18-10-12-5-4-7-14(9-12)19-11-13-6-2-3-8-15(13)16/h2-10,17H,11H2,1H3/b18-10+.
What are the key properties of N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine?
N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine has a molecular weight of 274.75 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine is sourced from PubChem (CID 110340663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).