4-(4-ethylimino-2,3-dihydro-1H-naphthalen-1-yl)aniline

C18H20N2 — CID 90705262

IUPAC4-(4-ethylimino-2,3-dihydro-1H-naphthalen-1-yl)aniline
SMILESCC/N=C1\CCC(c2ccc(N)cc2)c2ccccc21
InChIInChI=1S/C18H20N2/c1-2-20-18-12-11-15(13-7-9-14(19)10-8-13)16-5-3-4-6-17(16)18/h3-10,15H,2,11-12,19H2,1H3/b20-18+
InChIKeyNIRMCEMWXDINAM-CZIZESTLSA-N
MW264.37 g/mol
LogP4.00
Rot. Bonds2

About 4-(4-ethylimino-2,3-dihydro-1H-naphthalen-1-yl)aniline

4-(4-ethylimino-2,3-dihydro-1H-naphthalen-1-yl)aniline (PubChem CID 90705262) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-(4-ethylimino-2,3-dihydro-1H-naphthalen-1-yl)aniline.

Molecular Properties

Compound Name4-(4-ethylimino-2,3-dihydro-1H-naphthalen-1-yl)aniline
PubChem CID90705262
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name4-(4-ethylimino-2,3-dihydro-1H-naphthalen-1-yl)aniline
SMILESCC/N=C1\CCC(c2ccc(N)cc2)c2ccccc21
InChIInChI=1S/C18H20N2/c1-2-20-18-12-11-15(13-7-9-14(19)10-8-13)16-5-3-4-6-17(16)18/h3-10,15H,2,11-12,19H2,1H3/b20-18+
InChIKeyNIRMCEMWXDINAM-CZIZESTLSA-N
XLogP4.00
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylimino-2,3-dihydro-1H-naphthalen-1-yl)aniline?
The IUPAC name of 4-(4-ethylimino-2,3-dihydro-1H-naphthalen-1-yl)aniline (CID 90705262) is 4-(4-ethylimino-2,3-dihydro-1H-naphthalen-1-yl)aniline.
What is the SMILES notation for 4-(4-ethylimino-2,3-dihydro-1H-naphthalen-1-yl)aniline?
The canonical SMILES for 4-(4-ethylimino-2,3-dihydro-1H-naphthalen-1-yl)aniline is CC/N=C1\CCC(c2ccc(N)cc2)c2ccccc21.
What is the InChIKey of 4-(4-ethylimino-2,3-dihydro-1H-naphthalen-1-yl)aniline?
The InChIKey is NIRMCEMWXDINAM-CZIZESTLSA-N. The full InChI is InChI=1S/C18H20N2/c1-2-20-18-12-11-15(13-7-9-14(19)10-8-13)16-5-3-4-6-17(16)18/h3-10,15H,2,11-12,19H2,1H3/b20-18+.
What are the key properties of 4-(4-ethylimino-2,3-dihydro-1H-naphthalen-1-yl)aniline?
4-(4-ethylimino-2,3-dihydro-1H-naphthalen-1-yl)aniline has a molecular weight of 264.37 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylimino-2,3-dihydro-1H-naphthalen-1-yl)aniline is sourced from PubChem (CID 90705262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).