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

C16H17ClN2O2 — CID 110340261

IUPACN-[(E)-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine
SMILESCN/N=C/c1cccc(OC)c1OCc1ccccc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-18-19-10-12-7-5-9-15(20-2)16(12)21-11-13-6-3-4-8-14(13)17/h3-10,18H,11H2,1-2H3/b19-10+
InChIKeyYWULKEOFLYLILS-VXLYETTFSA-N
MW304.78 g/mol
LogP3.48
Rot. Bonds6

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

N-[(E)-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine (PubChem CID 110340261) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-[(E)-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine.

Molecular Properties

Compound NameN-[(E)-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine
PubChem CID110340261
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-[(E)-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine
SMILESCN/N=C/c1cccc(OC)c1OCc1ccccc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-18-19-10-12-7-5-9-15(20-2)16(12)21-11-13-6-3-4-8-14(13)17/h3-10,18H,11H2,1-2H3/b19-10+
InChIKeyYWULKEOFLYLILS-VXLYETTFSA-N
XLogP3.48
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.48
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-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylaniline
CID 110840891
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20984774
(NE)-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42304835
3,4-dichloro-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110840470
[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 168532736
4-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenol
CID 50885952
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579164
1-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine
CID 1227621
N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1,1,2,2,3,3,3-heptafluoropropan-1-amine
CID 126040621
[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 168532739
N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 22680693
1-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17208009

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine?
The IUPAC name of N-[(E)-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine (CID 110340261) is N-[(E)-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine.
What is the SMILES notation for N-[(E)-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine?
The canonical SMILES for N-[(E)-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine is CN/N=C/c1cccc(OC)c1OCc1ccccc1Cl.
What is the InChIKey of N-[(E)-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine?
The InChIKey is YWULKEOFLYLILS-VXLYETTFSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-18-19-10-12-7-5-9-15(20-2)16(12)21-11-13-6-3-4-8-14(13)17/h3-10,18H,11H2,1-2H3/b19-10+.
What are the key properties of N-[(E)-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine?
N-[(E)-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine has a molecular weight of 304.78 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine is sourced from PubChem (CID 110340261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).