1-[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine

C27H24ClNO2 — CID 126217219

IUPAC1-[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine
SMILESCCOc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1cccc2ccccc12
InChIInChI=1S/C27H24ClNO2/c1-3-30-26-16-20(17-29-23-13-11-19(2)12-14-23)15-25(28)27(26)31-18-22-9-6-8-21-7-4-5-10-24(21)22/h4-17H,3,18H2,1-2H3/b29-17+
InChIKeyLTALJHNWNWPSID-STBIYBPSSA-N
MW429.95 g/mol
LogP7.53
Rot. Bonds7

About 1-[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine

1-[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine (PubChem CID 126217219) has the molecular formula C27H24ClNO2 and a molecular weight of 429.95 g/mol. Its IUPAC name is 1-[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine.

Molecular Properties

Compound Name1-[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine
PubChem CID126217219
Molecular FormulaC27H24ClNO2
Molecular Weight429.95 g/mol
Exact Mass429.15
IUPAC Name1-[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine
SMILESCCOc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1cccc2ccccc12
InChIInChI=1S/C27H24ClNO2/c1-3-30-26-16-20(17-29-23-13-11-19(2)12-14-23)15-25(28)27(26)31-18-22-9-6-8-21-7-4-5-10-24(21)22/h4-17H,3,18H2,1-2H3/b29-17+
InChIKeyLTALJHNWNWPSID-STBIYBPSSA-N
XLogP7.53
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.95
LogP ≤ 57.53
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-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126221945
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
1-[(Z)-[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-ethylthiourea
CID 94851338
1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-2-methylphenyl)methanimine
CID 126217392
1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-N-phenylmethanimine
CID 126206998
N-(4-methylphenyl)-1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methanimine
CID 126215977
2-[2-chloro-6-ethoxy-4-[(4-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126215628
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]hydroxylamine
CID 20985091
N-(2,4-dimethylphenyl)-1-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine
CID 126205495
(NZ)-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 91683154
1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126222826

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine?
The IUPAC name of 1-[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine (CID 126217219) is 1-[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine.
What is the SMILES notation for 1-[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine?
The canonical SMILES for 1-[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine is CCOc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1cccc2ccccc12.
What is the InChIKey of 1-[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine?
The InChIKey is LTALJHNWNWPSID-STBIYBPSSA-N. The full InChI is InChI=1S/C27H24ClNO2/c1-3-30-26-16-20(17-29-23-13-11-19(2)12-14-23)15-25(28)27(26)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-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine?
1-[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine has a molecular weight of 429.95 g/mol, XLogP of 7.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine is sourced from PubChem (CID 126217219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).