N-ethyl-2-[(Z)-inden-1-ylidenemethyl]aniline

C18H17N — CID 21139902

IUPACN-ethyl-2-[(Z)-inden-1-ylidenemethyl]aniline
SMILESCCNc1ccccc1/C=C1/C=Cc2ccccc21
InChIInChI=1S/C18H17N/c1-2-19-18-10-6-4-8-16(18)13-15-12-11-14-7-3-5-9-17(14)15/h3-13,19H,2H2,1H3/b15-13-
InChIKeyVXBDMJYBENWXEL-SQFISAMPSA-N
MW247.34 g/mol
LogP4.69
Rot. Bonds3

About N-ethyl-2-[(Z)-inden-1-ylidenemethyl]aniline

N-ethyl-2-[(Z)-inden-1-ylidenemethyl]aniline (PubChem CID 21139902) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is N-ethyl-2-[(Z)-inden-1-ylidenemethyl]aniline.

Molecular Properties

Compound NameN-ethyl-2-[(Z)-inden-1-ylidenemethyl]aniline
PubChem CID21139902
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC NameN-ethyl-2-[(Z)-inden-1-ylidenemethyl]aniline
SMILESCCNc1ccccc1/C=C1/C=Cc2ccccc21
InChIInChI=1S/C18H17N/c1-2-19-18-10-6-4-8-16(18)13-15-12-11-14-7-3-5-9-17(14)15/h3-13,19H,2H2,1H3/b15-13-
InChIKeyVXBDMJYBENWXEL-SQFISAMPSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1Z)-1-[(2-methoxyphenyl)methylidene]indene
CID 92533355
N-ethyl-2-[(Z)-prop-1-enyl]aniline
CID 145027913
[8-(inden-1-ylidenemethyl)-2-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 70414572
8-(inden-1-ylidenemethyl)-2,3-dimethylimidazo[1,2-a]pyridine
CID 70404010
N-ethyl-2-(2-phenylethenyl)aniline
CID 152532004
1-N,2-N-diethylbenzene-1,2-diamine;hydrochloride
CID 158225673
[4-[(Z)-inden-1-ylidenemethyl]phenyl]-trimethylazanium iodide
CID 6444348
(1E)-1-hexylideneindene
CID 173434056
(1E)-1-inden-1-ylidene-N,N-dimethylmethanamine
CID 5382445
2,6-dibromo-4-[(Z)-inden-1-ylidenemethyl]-N-methylaniline
CID 56689216
(1Z)-1-[(4-methylsulfonylphenyl)methylidene]indene
CID 54607021
4-[(E)-inden-1-ylidenemethyl]-N-methyl-N-(2-methylpropyl)aniline
CID 53315550

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(Z)-inden-1-ylidenemethyl]aniline?
The IUPAC name of N-ethyl-2-[(Z)-inden-1-ylidenemethyl]aniline (CID 21139902) is N-ethyl-2-[(Z)-inden-1-ylidenemethyl]aniline.
What is the SMILES notation for N-ethyl-2-[(Z)-inden-1-ylidenemethyl]aniline?
The canonical SMILES for N-ethyl-2-[(Z)-inden-1-ylidenemethyl]aniline is CCNc1ccccc1/C=C1/C=Cc2ccccc21.
What is the InChIKey of N-ethyl-2-[(Z)-inden-1-ylidenemethyl]aniline?
The InChIKey is VXBDMJYBENWXEL-SQFISAMPSA-N. The full InChI is InChI=1S/C18H17N/c1-2-19-18-10-6-4-8-16(18)13-15-12-11-14-7-3-5-9-17(14)15/h3-13,19H,2H2,1H3/b15-13-.
What are the key properties of N-ethyl-2-[(Z)-inden-1-ylidenemethyl]aniline?
N-ethyl-2-[(Z)-inden-1-ylidenemethyl]aniline has a molecular weight of 247.34 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(Z)-inden-1-ylidenemethyl]aniline is sourced from PubChem (CID 21139902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).