N-(naphthalen-1-ylmethylideneamino)-4-(trifluoromethyl)aniline

C18H13F3N2 — CID 110842073

IUPACN-(naphthalen-1-ylmethylideneamino)-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NN=Cc2cccc3ccccc23)cc1
InChIInChI=1S/C18H13F3N2/c19-18(20,21)15-8-10-16(11-9-15)23-22-12-14-6-3-5-13-4-1-2-7-17(13)14/h1-12,23H
InChIKeyHYHYQEGCSLSZKC-UHFFFAOYSA-N
MW314.31 g/mol
LogP5.30
Rot. Bonds3

About N-(naphthalen-1-ylmethylideneamino)-4-(trifluoromethyl)aniline

N-(naphthalen-1-ylmethylideneamino)-4-(trifluoromethyl)aniline (PubChem CID 110842073) has the molecular formula C18H13F3N2 and a molecular weight of 314.31 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethylideneamino)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethylideneamino)-4-(trifluoromethyl)aniline
PubChem CID110842073
Molecular FormulaC18H13F3N2
Molecular Weight314.31 g/mol
Exact Mass314.10
IUPAC NameN-(naphthalen-1-ylmethylideneamino)-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NN=Cc2cccc3ccccc23)cc1
InChIInChI=1S/C18H13F3N2/c19-18(20,21)15-8-10-16(11-9-15)23-22-12-14-6-3-5-13-4-1-2-7-17(13)14/h1-12,23H
InChIKeyHYHYQEGCSLSZKC-UHFFFAOYSA-N
XLogP5.30
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.31
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-fluoro-N-(naphthalen-1-ylmethylideneamino)aniline
CID 78597503
4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 110841790
N-[(E)-naphthalen-1-ylmethylideneamino]methanamine
CID 110337745
2-methyl-N-[(E)-naphthalen-1-ylmethylideneamino]propan-2-amine
CID 22891976
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-(trifluoromethyl)aniline
CID 110841844
N-(1H-indol-3-ylmethylideneamino)-3-(trifluoromethyl)aniline
CID 136704769
1,3-bis(naphthalen-1-ylmethylideneamino)thiourea
CID 5196948
N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5397614
N-[(Z)-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methylideneamino]-4-(trifluoromethyl)aniline
CID 6282077
4-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 5115489
2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]benzoic acid
CID 45327399
N-[(4-ethylphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 110841973

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethylideneamino)-4-(trifluoromethyl)aniline?
The IUPAC name of N-(naphthalen-1-ylmethylideneamino)-4-(trifluoromethyl)aniline (CID 110842073) is N-(naphthalen-1-ylmethylideneamino)-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-(naphthalen-1-ylmethylideneamino)-4-(trifluoromethyl)aniline?
The canonical SMILES for N-(naphthalen-1-ylmethylideneamino)-4-(trifluoromethyl)aniline is FC(F)(F)c1ccc(NN=Cc2cccc3ccccc23)cc1.
What is the InChIKey of N-(naphthalen-1-ylmethylideneamino)-4-(trifluoromethyl)aniline?
The InChIKey is HYHYQEGCSLSZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2/c19-18(20,21)15-8-10-16(11-9-15)23-22-12-14-6-3-5-13-4-1-2-7-17(13)14/h1-12,23H.
What are the key properties of N-(naphthalen-1-ylmethylideneamino)-4-(trifluoromethyl)aniline?
N-(naphthalen-1-ylmethylideneamino)-4-(trifluoromethyl)aniline has a molecular weight of 314.31 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethylideneamino)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 110842073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).