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

C18H22N2O — CID 110841094

IUPAC3,4-dimethyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline
SMILESCc1ccc(NN=Cc2ccccc2OC(C)C)cc1C
InChIInChI=1S/C18H22N2O/c1-13(2)21-18-8-6-5-7-16(18)12-19-20-17-10-9-14(3)15(4)11-17/h5-13,20H,1-4H3
InChIKeyGHUHZJSDQDMQAK-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.54
Rot. Bonds5

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

3,4-dimethyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline (PubChem CID 110841094) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name3,4-dimethyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline
PubChem CID110841094
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3,4-dimethyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline
SMILESCc1ccc(NN=Cc2ccccc2OC(C)C)cc1C
InChIInChI=1S/C18H22N2O/c1-13(2)21-18-8-6-5-7-16(18)12-19-20-17-10-9-14(3)15(4)11-17/h5-13,20H,1-4H3
InChIKeyGHUHZJSDQDMQAK-UHFFFAOYSA-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

3-chloro-4-methyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110842502
N-[(E)-(2-fluorophenyl)methylideneamino]-3,4-dimethylaniline
CID 110504963
3,4-dimethyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110504997
1,3-bis[(2-propan-2-yloxyphenyl)methylideneamino]thiourea
CID 2566373
3,4-dimethyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 110504935
N,N'-bis[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxamide
CID 5334919
1-(3,4-dimethoxyphenyl)-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]methanamine
CID 92658396
N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3,4-dimethylaniline
CID 110504984
3,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]aniline
CID 7979466
N-(3,4-dimethylphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54805421
N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]aniline
CID 169382884
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethylaniline
CID 110504942

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline?
The IUPAC name of 3,4-dimethyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline (CID 110841094) is 3,4-dimethyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline.
What is the SMILES notation for 3,4-dimethyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline?
The canonical SMILES for 3,4-dimethyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline is Cc1ccc(NN=Cc2ccccc2OC(C)C)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline?
The InChIKey is GHUHZJSDQDMQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13(2)21-18-8-6-5-7-16(18)12-19-20-17-10-9-14(3)15(4)11-17/h5-13,20H,1-4H3.
What are the key properties of 3,4-dimethyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline?
3,4-dimethyl-N-[(2-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-[(2-propan-2-yloxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 110841094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).