N-[(Z)-[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]aniline

C26H23BrN2O2 — CID 94851477

IUPACN-[(Z)-[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]aniline
SMILESCCOc1cc(/C=N\Nc2ccccc2)cc(Br)c1OCc1cccc2ccccc12
InChIInChI=1S/C26H23BrN2O2/c1-2-30-25-16-19(17-28-29-22-12-4-3-5-13-22)15-24(27)26(25)31-18-21-11-8-10-20-9-6-7-14-23(20)21/h3-17,29H,2,18H2,1H3/b28-17-
InChIKeyYYIFBIMPCVVQLW-QRQIAZFYSA-N
MW475.39 g/mol
LogP7.03
Rot. Bonds8

About N-[(Z)-[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]aniline

N-[(Z)-[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]aniline (PubChem CID 94851477) has the molecular formula C26H23BrN2O2 and a molecular weight of 475.39 g/mol. Its IUPAC name is N-[(Z)-[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[(Z)-[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]aniline
PubChem CID94851477
Molecular FormulaC26H23BrN2O2
Molecular Weight475.39 g/mol
Exact Mass474.09
IUPAC NameN-[(Z)-[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]aniline
SMILESCCOc1cc(/C=N\Nc2ccccc2)cc(Br)c1OCc1cccc2ccccc12
InChIInChI=1S/C26H23BrN2O2/c1-2-30-25-16-19(17-28-29-22-12-4-3-5-13-22)15-24(27)26(25)31-18-21-11-8-10-20-9-6-7-14-23(20)21/h3-17,29H,2,18H2,1H3/b28-17-
InChIKeyYYIFBIMPCVVQLW-QRQIAZFYSA-N
XLogP7.03
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.39
LogP ≤ 57.03
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-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]aniline
CID 132950633
(NE)-N-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 6898110
4-bromo-N-[(Z)-[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 126373594
N-[(E)-[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(4-methylphenyl)acetamide
CID 126369937
ethyl 2-[2-bromo-6-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetate
CID 169383345
[2-bromo-6-ethoxy-4-[(phenylhydrazinylidene)methyl]phenyl] acetate
CID 169383230
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]aniline
CID 169383336
N-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-methylfuran-2-carboxamide
CID 4673051
N-[(3-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylideneamino]aniline
CID 169383453
N-[(E)-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-ethoxy-3-methoxybenzamide
CID 126308931
N'-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(4-bromo-2-methylphenyl)oxamide
CID 4097113
4-[2-[(3-bromo-4,5-diethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110841167

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]aniline?
The IUPAC name of N-[(Z)-[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]aniline (CID 94851477) is N-[(Z)-[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[(Z)-[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]aniline?
The canonical SMILES for N-[(Z)-[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]aniline is CCOc1cc(/C=N\Nc2ccccc2)cc(Br)c1OCc1cccc2ccccc12.
What is the InChIKey of N-[(Z)-[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]aniline?
The InChIKey is YYIFBIMPCVVQLW-QRQIAZFYSA-N. The full InChI is InChI=1S/C26H23BrN2O2/c1-2-30-25-16-19(17-28-29-22-12-4-3-5-13-22)15-24(27)26(25)31-18-21-11-8-10-20-9-6-7-14-23(20)21/h3-17,29H,2,18H2,1H3/b28-17-.
What are the key properties of N-[(Z)-[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]aniline?
N-[(Z)-[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]aniline has a molecular weight of 475.39 g/mol, XLogP of 7.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]aniline is sourced from PubChem (CID 94851477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).