3,4-dimethyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline

C18H22N2O — CID 110504997

IUPAC3,4-dimethyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline
SMILESCc1ccc(N/N=C/c2cccc(OC(C)C)c2)cc1C
InChIInChI=1S/C18H22N2O/c1-13(2)21-18-7-5-6-16(11-18)12-19-20-17-9-8-14(3)15(4)10-17/h5-13,20H,1-4H3/b19-12+
InChIKeyIFADEXZMUDREJL-XDHOZWIPSA-N
MW282.39 g/mol
LogP4.54
Rot. Bonds5

About 3,4-dimethyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline

3,4-dimethyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline (PubChem CID 110504997) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name3,4-dimethyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline
PubChem CID110504997
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3,4-dimethyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline
SMILESCc1ccc(N/N=C/c2cccc(OC(C)C)c2)cc1C
InChIInChI=1S/C18H22N2O/c1-13(2)21-18-7-5-6-16(11-18)12-19-20-17-9-8-14(3)15(4)10-17/h5-13,20H,1-4H3/b19-12+
InChIKeyIFADEXZMUDREJL-XDHOZWIPSA-N
XLogP4.54
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.54
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
3,4-dimethyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110841094
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline
CID 110841009
N-[[3-(difluoromethoxy)phenyl]methylideneamino]naphthalen-2-amine
CID 4152799
4-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509128
2-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 110524827
1,1,2,2,3,3,3-heptafluoro-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]propan-1-amine
CID 126045816
N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-3,4-dimethylaniline
CID 110841046
2-(2,4-dimethylphenyl)-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 92657857
3-chloro-N-[(E)-(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-4-methylaniline
CID 110506541
4-methyl-N-[(3-phenoxyphenyl)methylideneamino]aniline;hydrochloride
CID 73242918
N-(3,4-dimethylphenyl)-N'-[(Z)-(3-ethoxyphenyl)methylideneamino]oxamide
CID 8932223

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline?
The IUPAC name of 3,4-dimethyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline (CID 110504997) is 3,4-dimethyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline.
What is the SMILES notation for 3,4-dimethyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline?
The canonical SMILES for 3,4-dimethyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline is Cc1ccc(N/N=C/c2cccc(OC(C)C)c2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline?
The InChIKey is IFADEXZMUDREJL-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13(2)21-18-7-5-6-16(11-18)12-19-20-17-9-8-14(3)15(4)10-17/h5-13,20H,1-4H3/b19-12+.
What are the key properties of 3,4-dimethyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline?
3,4-dimethyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline has a molecular weight of 282.39 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 110504997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).