2,6-dichloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-4-(trifluoromethyl)aniline

C17H13Cl2F3N2 — CID 2740493

IUPAC2,6-dichloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Cl)c(NN=C2CCCc3ccccc32)c(Cl)c1
InChIInChI=1S/C17H13Cl2F3N2/c18-13-8-11(17(20,21)22)9-14(19)16(13)24-23-15-7-3-5-10-4-1-2-6-12(10)15/h1-2,4,6,8-9,24H,3,5,7H2
InChIKeyLOGJDNRPTIDJEH-UHFFFAOYSA-N
MW373.21 g/mol
LogP6.16
Rot. Bonds2

About 2,6-dichloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-4-(trifluoromethyl)aniline

2,6-dichloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-4-(trifluoromethyl)aniline (PubChem CID 2740493) has the molecular formula C17H13Cl2F3N2 and a molecular weight of 373.21 g/mol. Its IUPAC name is 2,6-dichloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-4-(trifluoromethyl)aniline
PubChem CID2740493
Molecular FormulaC17H13Cl2F3N2
Molecular Weight373.21 g/mol
Exact Mass372.04
IUPAC Name2,6-dichloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Cl)c(NN=C2CCCc3ccccc32)c(Cl)c1
InChIInChI=1S/C17H13Cl2F3N2/c18-13-8-11(17(20,21)22)9-14(19)16(13)24-23-15-7-3-5-10-4-1-2-6-12(10)15/h1-2,4,6,8-9,24H,3,5,7H2
InChIKeyLOGJDNRPTIDJEH-UHFFFAOYSA-N
XLogP6.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.21
LogP ≤ 56.16
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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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-4-(trifluoromethyl)aniline?
The IUPAC name of 2,6-dichloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-4-(trifluoromethyl)aniline (CID 2740493) is 2,6-dichloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2,6-dichloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-4-(trifluoromethyl)aniline?
The canonical SMILES for 2,6-dichloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-4-(trifluoromethyl)aniline is FC(F)(F)c1cc(Cl)c(NN=C2CCCc3ccccc32)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-4-(trifluoromethyl)aniline?
The InChIKey is LOGJDNRPTIDJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2F3N2/c18-13-8-11(17(20,21)22)9-14(19)16(13)24-23-15-7-3-5-10-4-1-2-6-12(10)15/h1-2,4,6,8-9,24H,3,5,7H2.
What are the key properties of 2,6-dichloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-4-(trifluoromethyl)aniline?
2,6-dichloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-4-(trifluoromethyl)aniline has a molecular weight of 373.21 g/mol, XLogP of 6.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 2740493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).