4-methyl-N-[(3-phenoxyphenyl)methylideneamino]aniline;hydrochloride

C20H19ClN2O — CID 73242918

IUPAC4-methyl-N-[(3-phenoxyphenyl)methylideneamino]aniline;hydrochloride
SMILESCc1ccc(NN=Cc2cccc(Oc3ccccc3)c2)cc1.Cl
InChIInChI=1S/C20H18N2O.ClH/c1-16-10-12-18(13-11-16)22-21-15-17-6-5-9-20(14-17)23-19-7-3-2-4-8-19;/h2-15,22H,1H3;1H
InChIKeySMCIDTXONXIHOE-UHFFFAOYSA-N
MW338.84 g/mol
LogP5.66
Rot. Bonds5

About 4-methyl-N-[(3-phenoxyphenyl)methylideneamino]aniline;hydrochloride

4-methyl-N-[(3-phenoxyphenyl)methylideneamino]aniline;hydrochloride (PubChem CID 73242918) has the molecular formula C20H19ClN2O and a molecular weight of 338.84 g/mol. Its IUPAC name is 4-methyl-N-[(3-phenoxyphenyl)methylideneamino]aniline;hydrochloride.

Molecular Properties

Compound Name4-methyl-N-[(3-phenoxyphenyl)methylideneamino]aniline;hydrochloride
PubChem CID73242918
Molecular FormulaC20H19ClN2O
Molecular Weight338.84 g/mol
Exact Mass338.12
IUPAC Name4-methyl-N-[(3-phenoxyphenyl)methylideneamino]aniline;hydrochloride
SMILESCc1ccc(NN=Cc2cccc(Oc3ccccc3)c2)cc1.Cl
InChIInChI=1S/C20H18N2O.ClH/c1-16-10-12-18(13-11-16)22-21-15-17-6-5-9-20(14-17)23-19-7-3-2-4-8-19;/h2-15,22H,1H3;1H
InChIKeySMCIDTXONXIHOE-UHFFFAOYSA-N
XLogP5.66
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.84
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-methyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110505475
3-chloro-N-[(3-phenoxyphenyl)methylideneamino]aniline
CID 78597614
[3-[(Z)-(phenylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate
CID 124850551
3-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 4675648
N-[[4-(3,5-dimethylphenoxy)phenyl]methylideneamino]aniline
CID 110840192
N-[(3-ethoxyphenyl)methylideneamino]aniline
CID 169381619
N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]aniline
CID 110840189
2,5-dimethyl-N-[(3-phenoxyphenyl)methylideneamino]benzenesulfonamide
CID 2362958
N-[[3-(2-methoxyethoxy)phenyl]methylideneamino]aniline
CID 169382542
3,5-dichloro-N-[(3-phenoxyphenyl)methylideneamino]pyridin-4-amine
CID 3929502
4-fluoro-N-[(3-methoxyphenyl)methylideneamino]aniline
CID 3406513
4-chloro-N-[(Z)-(3-methoxyphenyl)methylideneamino]aniline
CID 6039308

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3-phenoxyphenyl)methylideneamino]aniline;hydrochloride?
The IUPAC name of 4-methyl-N-[(3-phenoxyphenyl)methylideneamino]aniline;hydrochloride (CID 73242918) is 4-methyl-N-[(3-phenoxyphenyl)methylideneamino]aniline;hydrochloride.
What is the SMILES notation for 4-methyl-N-[(3-phenoxyphenyl)methylideneamino]aniline;hydrochloride?
The canonical SMILES for 4-methyl-N-[(3-phenoxyphenyl)methylideneamino]aniline;hydrochloride is Cc1ccc(NN=Cc2cccc(Oc3ccccc3)c2)cc1.Cl.
What is the InChIKey of 4-methyl-N-[(3-phenoxyphenyl)methylideneamino]aniline;hydrochloride?
The InChIKey is SMCIDTXONXIHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O.ClH/c1-16-10-12-18(13-11-16)22-21-15-17-6-5-9-20(14-17)23-19-7-3-2-4-8-19;/h2-15,22H,1H3;1H.
What are the key properties of 4-methyl-N-[(3-phenoxyphenyl)methylideneamino]aniline;hydrochloride?
4-methyl-N-[(3-phenoxyphenyl)methylideneamino]aniline;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3-phenoxyphenyl)methylideneamino]aniline;hydrochloride is sourced from PubChem (CID 73242918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).