3-chloro-4-methyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline

C17H19ClN2O — CID 110842502

IUPAC3-chloro-4-methyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline
SMILESCc1ccc(NN=Cc2ccccc2OC(C)C)cc1Cl
InChIInChI=1S/C17H19ClN2O/c1-12(2)21-17-7-5-4-6-14(17)11-19-20-15-9-8-13(3)16(18)10-15/h4-12,20H,1-3H3
InChIKeyOKRHMYIVJYWCLM-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.88
Rot. Bonds5

About 3-chloro-4-methyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline

3-chloro-4-methyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline (PubChem CID 110842502) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name3-chloro-4-methyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline
PubChem CID110842502
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name3-chloro-4-methyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline
SMILESCc1ccc(NN=Cc2ccccc2OC(C)C)cc1Cl
InChIInChI=1S/C17H19ClN2O/c1-12(2)21-17-7-5-4-6-14(17)11-19-20-15-9-8-13(3)16(18)10-15/h4-12,20H,1-3H3
InChIKeyOKRHMYIVJYWCLM-UHFFFAOYSA-N
XLogP4.88
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.88
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'}

Analyze 3-chloro-4-methyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110841094
3-chloro-N-[(E)-(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-4-methylaniline
CID 110506541
3,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]aniline
CID 7979466
3-chloro-4-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]aniline
CID 110505388
N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]aniline
CID 169382884
1,3-bis[(2-propan-2-yloxyphenyl)methylideneamino]thiourea
CID 2566373
N-(3-chloro-4-methylphenyl)-2-propan-2-yloxybenzamide
CID 17045551
3-chloro-N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylaniline
CID 110842416
3-chloro-4-methyl-N-[(Z)-[(2S)-2-phenylpropylidene]amino]aniline
CID 9069302
3-chloro-4-methyl-N-[(E)-(1-methylindol-3-yl)methylideneamino]aniline
CID 110506574
N,N'-bis[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxamide
CID 5334919
N-(3-chloro-4-methylphenyl)-N'-[(5-chloro-2-propan-2-yloxyphenyl)methylideneamino]propanediamide
CID 4008012

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline?
The IUPAC name of 3-chloro-4-methyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline (CID 110842502) is 3-chloro-4-methyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline.
What is the SMILES notation for 3-chloro-4-methyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline?
The canonical SMILES for 3-chloro-4-methyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline is Cc1ccc(NN=Cc2ccccc2OC(C)C)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline?
The InChIKey is OKRHMYIVJYWCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12(2)21-17-7-5-4-6-14(17)11-19-20-15-9-8-13(3)16(18)10-15/h4-12,20H,1-3H3.
What are the key properties of 3-chloro-4-methyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline?
3-chloro-4-methyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline has a molecular weight of 302.81 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 110842502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).