4-chloro-N-[(E)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]aniline

C17H19ClN2O3 — CID 110506062

IUPAC4-chloro-N-[(E)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]aniline
SMILESCCOc1c(OC)cc(/C=N/Nc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C17H19ClN2O3/c1-4-23-17-15(21-2)9-12(10-16(17)22-3)11-19-20-14-7-5-13(18)6-8-14/h5-11,20H,4H2,1-3H3/b19-11+
InChIKeyGDHDNHUVMARELV-YBFXNURJSA-N
MW334.80 g/mol
LogP4.20
Rot. Bonds7

About 4-chloro-N-[(E)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]aniline

4-chloro-N-[(E)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]aniline (PubChem CID 110506062) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 4-chloro-N-[(E)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name4-chloro-N-[(E)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]aniline
PubChem CID110506062
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name4-chloro-N-[(E)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]aniline
SMILESCCOc1c(OC)cc(/C=N/Nc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C17H19ClN2O3/c1-4-23-17-15(21-2)9-12(10-16(17)22-3)11-19-20-14-7-5-13(18)6-8-14/h5-11,20H,4H2,1-3H3/b19-11+
InChIKeyGDHDNHUVMARELV-YBFXNURJSA-N
XLogP4.20
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4-chloroaniline
CID 110506158
N-[(E)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]-3,4-dimethylaniline
CID 110504940
N-[(Z)-(3-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]-4-chloroaniline
CID 7971829
N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110509009
4-chloro-N-[(3,4-diethoxy-5-nitrophenyl)methylideneamino]aniline
CID 50887152
4-chloro-N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]aniline
CID 110506129
4-chloro-N-[(E)-(3-methoxy-5-nitro-4-propoxyphenyl)methylideneamino]aniline
CID 110506116
2-[2-bromo-4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-methoxyphenoxy]acetonitrile
CID 19579336
4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135675775
N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-4-methylaniline
CID 110505430
N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methylaniline
CID 110505520
3-chloro-N-[(E)-(4-ethoxy-3-methoxy-5-nitrophenyl)methylideneamino]-4-methylaniline
CID 110506514

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]aniline?
The IUPAC name of 4-chloro-N-[(E)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]aniline (CID 110506062) is 4-chloro-N-[(E)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for 4-chloro-N-[(E)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]aniline?
The canonical SMILES for 4-chloro-N-[(E)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]aniline is CCOc1c(OC)cc(/C=N/Nc2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 4-chloro-N-[(E)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]aniline?
The InChIKey is GDHDNHUVMARELV-YBFXNURJSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-4-23-17-15(21-2)9-12(10-16(17)22-3)11-19-20-14-7-5-13(18)6-8-14/h5-11,20H,4H2,1-3H3/b19-11+.
What are the key properties of 4-chloro-N-[(E)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]aniline?
4-chloro-N-[(E)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]aniline has a molecular weight of 334.80 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 110506062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).