N-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine

C25H20F3N3O — CID 126104919

IUPACN-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1ccc(COc2ccc3ccccc3c2/C=N\Nc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C25H20F3N3O/c1-17-6-8-18(9-7-17)16-32-23-12-10-19-4-2-3-5-21(19)22(23)15-30-31-24-13-11-20(14-29-24)25(26,27)28/h2-15H,16H2,1H3,(H,29,31)/b30-15-
InChIKeyQSCACOFTNGSSSL-MNDYBZJGSA-N
MW435.45 g/mol
LogP6.59
Rot. Bonds6

About N-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine

N-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 126104919) has the molecular formula C25H20F3N3O and a molecular weight of 435.45 g/mol. Its IUPAC name is N-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID126104919
Molecular FormulaC25H20F3N3O
Molecular Weight435.45 g/mol
Exact Mass435.16
IUPAC NameN-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1ccc(COc2ccc3ccccc3c2/C=N\Nc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C25H20F3N3O/c1-17-6-8-18(9-7-17)16-32-23-12-10-19-4-2-3-5-21(19)22(23)15-30-31-24-13-11-20(14-29-24)25(26,27)28/h2-15H,16H2,1H3,(H,29,31)/b30-15-
InChIKeyQSCACOFTNGSSSL-MNDYBZJGSA-N
XLogP6.59
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.45
LogP ≤ 56.59
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-[(Z)-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126110455
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-(trifluoromethyl)aniline
CID 110841844
N-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126070396
N-[(Z)-(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126112091
N-[(Z)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126103627
N'-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-propyloxamide
CID 8902463
2-(4-bromophenyl)-N-[(E)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 19061644
N-[(Z)-[3,5-diiodo-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126107094
N-[(Z)-[3-bromo-5-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126106180
N-(benzylideneamino)-5-(trifluoromethyl)pyridin-2-amine
CID 3937895
N-[(Z)-(2,5-dimethyl-1-naphthalen-1-ylpyrrol-3-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126110569
4-chloro-N-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]aniline
CID 110840761

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine (CID 126104919) is N-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is Cc1ccc(COc2ccc3ccccc3c2/C=N\Nc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of N-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is QSCACOFTNGSSSL-MNDYBZJGSA-N. The full InChI is InChI=1S/C25H20F3N3O/c1-17-6-8-18(9-7-17)16-32-23-12-10-19-4-2-3-5-21(19)22(23)15-30-31-24-13-11-20(14-29-24)25(26,27)28/h2-15H,16H2,1H3,(H,29,31)/b30-15-.
What are the key properties of N-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
N-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 435.45 g/mol, XLogP of 6.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 126104919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).