1-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine

C27H24BrNO2 — CID 126207553

IUPAC1-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine
SMILESCCc1ccc(/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)cc1
InChIInChI=1S/C27H24BrNO2/c1-3-19-11-13-23(14-12-19)29-17-20-15-25(28)27(26(16-20)30-2)31-18-22-9-6-8-21-7-4-5-10-24(21)22/h4-17H,3,18H2,1-2H3/b29-17+
InChIKeyLOOKRGDGOSPFCU-STBIYBPSSA-N
MW474.40 g/mol
LogP7.50
Rot. Bonds7

About 1-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine

1-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine (PubChem CID 126207553) has the molecular formula C27H24BrNO2 and a molecular weight of 474.40 g/mol. Its IUPAC name is 1-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine.

Molecular Properties

Compound Name1-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine
PubChem CID126207553
Molecular FormulaC27H24BrNO2
Molecular Weight474.40 g/mol
Exact Mass473.10
IUPAC Name1-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine
SMILESCCc1ccc(/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)cc1
InChIInChI=1S/C27H24BrNO2/c1-3-19-11-13-23(14-12-19)29-17-20-15-25(28)27(26(16-20)30-2)31-18-22-9-6-8-21-7-4-5-10-24(21)22/h4-17H,3,18H2,1-2H3/b29-17+
InChIKeyLOOKRGDGOSPFCU-STBIYBPSSA-N
XLogP7.50
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.40
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethylphenyl)methanimine
CID 126222908
1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
CID 126215718
1-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine
CID 126215352
1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine
CID 126209227
N-[(Z)-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
CID 99945039
2-[[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine
CID 2716663
1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-methylphenyl)methanimine
CID 126219299
1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 126222022
N-[(Z)-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(4-bromophenyl)acetamide
CID 19061286
1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-phenylmethanimine
CID 50885405
N-(4-ethylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine
CID 126216170
(NE)-N-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 6898110

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine?
The IUPAC name of 1-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine (CID 126207553) is 1-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine.
What is the SMILES notation for 1-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine?
The canonical SMILES for 1-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine is CCc1ccc(/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)cc1.
What is the InChIKey of 1-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine?
The InChIKey is LOOKRGDGOSPFCU-STBIYBPSSA-N. The full InChI is InChI=1S/C27H24BrNO2/c1-3-19-11-13-23(14-12-19)29-17-20-15-25(28)27(26(16-20)30-2)31-18-22-9-6-8-21-7-4-5-10-24(21)22/h4-17H,3,18H2,1-2H3/b29-17+.
What are the key properties of 1-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine?
1-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine has a molecular weight of 474.40 g/mol, XLogP of 7.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine is sourced from PubChem (CID 126207553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).