1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-phenoxyphenyl)methanimine

C30H22ClNO2 — CID 126222826

IUPAC1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-phenoxyphenyl)methanimine
SMILESClc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1cccc2ccccc12
InChIInChI=1S/C30H22ClNO2/c31-29-19-22(20-32-25-14-16-27(17-15-25)34-26-10-2-1-3-11-26)13-18-30(29)33-21-24-9-6-8-23-7-4-5-12-28(23)24/h1-20H,21H2/b32-20+
InChIKeyMTRQCQKUFYKLCR-UZWMFBFFSA-N
MW463.96 g/mol
LogP8.62
Rot. Bonds7

About 1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-phenoxyphenyl)methanimine

1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-phenoxyphenyl)methanimine (PubChem CID 126222826) has the molecular formula C30H22ClNO2 and a molecular weight of 463.96 g/mol. Its IUPAC name is 1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-phenoxyphenyl)methanimine.

Molecular Properties

Compound Name1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-phenoxyphenyl)methanimine
PubChem CID126222826
Molecular FormulaC30H22ClNO2
Molecular Weight463.96 g/mol
Exact Mass463.13
IUPAC Name1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-phenoxyphenyl)methanimine
SMILESClc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1cccc2ccccc12
InChIInChI=1S/C30H22ClNO2/c31-29-19-22(20-32-25-14-16-27(17-15-25)34-26-10-2-1-3-11-26)13-18-30(29)33-21-24-9-6-8-23-7-4-5-12-28(23)24/h1-20H,21H2/b32-20+
InChIKeyMTRQCQKUFYKLCR-UZWMFBFFSA-N
XLogP8.62
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.96
LogP ≤ 58.62
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-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-N-phenylmethanimine
CID 126206998
1-[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126222259
1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126217330
1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126224806
N-(3-chloro-2-methylphenyl)-1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methanimine
CID 126217246
1-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126216177
1-[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine
CID 126217219
1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]-N-phenylmethanimine
CID 126215170
1-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(3-chloro-2-methylphenyl)methanimine
CID 126219557
N'-[(Z)-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-ethyloxamide
CID 8931011
1-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-ethoxyphenyl)methanimine
CID 126220882
(NZ)-N-[[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 6242891

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-phenoxyphenyl)methanimine?
The IUPAC name of 1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-phenoxyphenyl)methanimine (CID 126222826) is 1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-phenoxyphenyl)methanimine.
What is the SMILES notation for 1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-phenoxyphenyl)methanimine?
The canonical SMILES for 1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-phenoxyphenyl)methanimine is Clc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1cccc2ccccc12.
What is the InChIKey of 1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-phenoxyphenyl)methanimine?
The InChIKey is MTRQCQKUFYKLCR-UZWMFBFFSA-N. The full InChI is InChI=1S/C30H22ClNO2/c31-29-19-22(20-32-25-14-16-27(17-15-25)34-26-10-2-1-3-11-26)13-18-30(29)33-21-24-9-6-8-23-7-4-5-12-28(23)24/h1-20H,21H2/b32-20+.
What are the key properties of 1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-phenoxyphenyl)methanimine?
1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-phenoxyphenyl)methanimine has a molecular weight of 463.96 g/mol, XLogP of 8.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-phenoxyphenyl)methanimine is sourced from PubChem (CID 126222826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).