N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)aniline

C22H19F3N2O — CID 110841580

IUPACN-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)aniline
SMILESCc1ccc(COc2ccccc2C=NNc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H19F3N2O/c1-16-9-11-17(12-10-16)15-28-21-8-3-2-5-18(21)14-26-27-20-7-4-6-19(13-20)22(23,24)25/h2-14,27H,15H2,1H3
InChIKeyHXGUHTADJVDHFT-UHFFFAOYSA-N
MW384.40 g/mol
LogP6.04
Rot. Bonds6

About N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)aniline

N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)aniline (PubChem CID 110841580) has the molecular formula C22H19F3N2O and a molecular weight of 384.40 g/mol. Its IUPAC name is N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)aniline
PubChem CID110841580
Molecular FormulaC22H19F3N2O
Molecular Weight384.40 g/mol
Exact Mass384.14
IUPAC NameN-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)aniline
SMILESCc1ccc(COc2ccccc2C=NNc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H19F3N2O/c1-16-9-11-17(12-10-16)15-28-21-8-3-2-5-18(21)14-26-27-20-7-4-6-19(13-20)22(23,24)25/h2-14,27H,15H2,1H3
InChIKeyHXGUHTADJVDHFT-UHFFFAOYSA-N
XLogP6.04
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.40
LogP ≤ 56.04
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

N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110339561
3-chloro-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110840263
4-methoxy-N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110508933
N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 110337114
(E)-2-cyano-3-[2-[(4-methylphenyl)methoxy]phenyl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 17276616
N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 4311932
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]-3-(trifluoromethyl)aniline
CID 110841633
3-bromo-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 19655678
3-chloro-N-[(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 78597661
3-[2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841476
N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]aniline
CID 110338538
N-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 42337280

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)aniline?
The IUPAC name of N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)aniline (CID 110841580) is N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)aniline?
The canonical SMILES for N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)aniline is Cc1ccc(COc2ccccc2C=NNc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)aniline?
The InChIKey is HXGUHTADJVDHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O/c1-16-9-11-17(12-10-16)15-28-21-8-3-2-5-18(21)14-26-27-20-7-4-6-19(13-20)22(23,24)25/h2-14,27H,15H2,1H3.
What are the key properties of N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)aniline?
N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)aniline has a molecular weight of 384.40 g/mol, XLogP of 6.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 110841580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).