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

C15H15ClN2O — CID 110339527

IUPACN-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine
SMILESCN/N=C/c1ccccc1OCc1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O/c1-17-18-10-13-6-2-3-8-15(13)19-11-12-5-4-7-14(16)9-12/h2-10,17H,11H2,1H3/b18-10+
InChIKeyMNLRMNOOPXCJAM-VCHYOVAHSA-N
MW274.75 g/mol
LogP3.47
Rot. Bonds5

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

N-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine (PubChem CID 110339527) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is N-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine.

Molecular Properties

Compound NameN-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine
PubChem CID110339527
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC NameN-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine
SMILESCN/N=C/c1ccccc1OCc1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O/c1-17-18-10-13-6-2-3-8-15(13)19-11-12-5-4-7-14(16)9-12/h2-10,17H,11H2,1H3/b18-10+
InChIKeyMNLRMNOOPXCJAM-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

[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 6876815
N-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methylmethanamine
CID 110339528
3-chloro-N-[(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 78597661
1-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-3-phenylthiourea
CID 3668306
3-chloro-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110840263
3-acetamido-N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3974283
N'-[(Z)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide
CID 8930114
N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide
CID 4684451
N-[(Z)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126394512
2,4-dichloro-N-[(E)-[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 110339606
3-chloro-N-[(2-ethoxyphenyl)methylideneamino]aniline
CID 78597618
2-[(3-chlorophenyl)methoxy]phenol
CID 18947333

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine?
The IUPAC name of N-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine (CID 110339527) is N-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine.
What is the SMILES notation for N-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine?
The canonical SMILES for N-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine is CN/N=C/c1ccccc1OCc1cccc(Cl)c1.
What is the InChIKey of N-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine?
The InChIKey is MNLRMNOOPXCJAM-VCHYOVAHSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-17-18-10-13-6-2-3-8-15(13)19-11-12-5-4-7-14(16)9-12/h2-10,17H,11H2,1H3/b18-10+.
What are the key properties of N-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine?
N-[(E)-[2-[(3-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)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine is sourced from PubChem (CID 110339527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).