N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]aniline

C17H19ClN2O2 — CID 169382884

IUPACN-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]aniline
SMILESCOc1cc(C=NNc2ccccc2)c(Cl)cc1OC(C)C
InChIInChI=1S/C17H19ClN2O2/c1-12(2)22-17-10-15(18)13(9-16(17)21-3)11-19-20-14-7-5-4-6-8-14/h4-12,20H,1-3H3
InChIKeyZFMFSJBZDPJLNZ-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.58
Rot. Bonds6

About N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]aniline

N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]aniline (PubChem CID 169382884) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]aniline
PubChem CID169382884
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC NameN-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]aniline
SMILESCOc1cc(C=NNc2ccccc2)c(Cl)cc1OC(C)C
InChIInChI=1S/C17H19ClN2O2/c1-12(2)22-17-10-15(18)13(9-16(17)21-3)11-19-20-14-7-5-4-6-8-14/h4-12,20H,1-3H3
InChIKeyZFMFSJBZDPJLNZ-UHFFFAOYSA-N
XLogP4.58
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]aniline
CID 4212050
4-chloro-N-[(E)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110506176
2-methoxy-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol
CID 169382296
3-chloro-4-methyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110842502
N-[(2,6-dichloro-3,4-dimethoxyphenyl)methylideneamino]aniline
CID 169383624
N-[(2-chloro-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 1001980
3,4-dimethyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110841094
3-methoxy-4-[(phenylhydrazinylidene)methyl]phenol
CID 169381641
3,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]aniline
CID 7979466
2-chloro-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol
CID 169382336
2-[(Z)-(phenylhydrazinylidene)methyl]-5-propan-2-yloxyphenol
CID 137068734
N-[(2,3,4-trimethoxyphenyl)methylideneamino]aniline
CID 5062184

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]aniline?
The IUPAC name of N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]aniline (CID 169382884) is N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]aniline?
The canonical SMILES for N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]aniline is COc1cc(C=NNc2ccccc2)c(Cl)cc1OC(C)C.
What is the InChIKey of N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]aniline?
The InChIKey is ZFMFSJBZDPJLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-12(2)22-17-10-15(18)13(9-16(17)21-3)11-19-20-14-7-5-4-6-8-14/h4-12,20H,1-3H3.
What are the key properties of N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]aniline?
N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]aniline has a molecular weight of 318.80 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 169382884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).