(1E)-1-[[4-(dimethylamino)phenyl]methylidene]-2,3-dihydroinden-5-amine

C18H20N2 — CID 53315280

IUPAC(1E)-1-[[4-(dimethylamino)phenyl]methylidene]-2,3-dihydroinden-5-amine
SMILESCN(C)c1ccc(/C=C2\CCc3cc(N)ccc32)cc1
InChIInChI=1S/C18H20N2/c1-20(2)17-8-3-13(4-9-17)11-14-5-6-15-12-16(19)7-10-18(14)15/h3-4,7-12H,5-6,19H2,1-2H3/b14-11+
InChIKeyPRVJJCNRSTYCQP-SDNWHVSQSA-N
MW264.37 g/mol
LogP3.82
Rot. Bonds2

About (1E)-1-[[4-(dimethylamino)phenyl]methylidene]-2,3-dihydroinden-5-amine

(1E)-1-[[4-(dimethylamino)phenyl]methylidene]-2,3-dihydroinden-5-amine (PubChem CID 53315280) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (1E)-1-[[4-(dimethylamino)phenyl]methylidene]-2,3-dihydroinden-5-amine.

Molecular Properties

Compound Name(1E)-1-[[4-(dimethylamino)phenyl]methylidene]-2,3-dihydroinden-5-amine
PubChem CID53315280
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name(1E)-1-[[4-(dimethylamino)phenyl]methylidene]-2,3-dihydroinden-5-amine
SMILESCN(C)c1ccc(/C=C2\CCc3cc(N)ccc32)cc1
InChIInChI=1S/C18H20N2/c1-20(2)17-8-3-13(4-9-17)11-14-5-6-15-12-16(19)7-10-18(14)15/h3-4,7-12H,5-6,19H2,1-2H3/b14-11+
InChIKeyPRVJJCNRSTYCQP-SDNWHVSQSA-N
XLogP3.82
TPSA29.26 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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-Aminofluorene
CID 1539
Bis(p-(dimethylamino)phenyl)methane
CID 7567
Aprindine
CID 2218
Aprindine Hydrochloride
CID 71413
4-Dimethylaminostilbene
CID 640024
N,N,N',N'-Tetramethylbenzidine
CID 9702
2,7-Diaminofluorene
CID 10679
N-(1-ethylpropyl)-3,4-dimethylaniline
CID 91984
4,4'-Methylenebis(N-methylaniline)
CID 15735
Michler's ethylene
CID 81995
1-(3,4-Xylyl)piperazine
CID 2723782
4-Amino-4'-(N,N-dimethylamino)stilbene
CID 5376919

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[[4-(dimethylamino)phenyl]methylidene]-2,3-dihydroinden-5-amine?
The IUPAC name of (1E)-1-[[4-(dimethylamino)phenyl]methylidene]-2,3-dihydroinden-5-amine (CID 53315280) is (1E)-1-[[4-(dimethylamino)phenyl]methylidene]-2,3-dihydroinden-5-amine.
What is the SMILES notation for (1E)-1-[[4-(dimethylamino)phenyl]methylidene]-2,3-dihydroinden-5-amine?
The canonical SMILES for (1E)-1-[[4-(dimethylamino)phenyl]methylidene]-2,3-dihydroinden-5-amine is CN(C)c1ccc(/C=C2\CCc3cc(N)ccc32)cc1.
What is the InChIKey of (1E)-1-[[4-(dimethylamino)phenyl]methylidene]-2,3-dihydroinden-5-amine?
The InChIKey is PRVJJCNRSTYCQP-SDNWHVSQSA-N. The full InChI is InChI=1S/C18H20N2/c1-20(2)17-8-3-13(4-9-17)11-14-5-6-15-12-16(19)7-10-18(14)15/h3-4,7-12H,5-6,19H2,1-2H3/b14-11+.
What are the key properties of (1E)-1-[[4-(dimethylamino)phenyl]methylidene]-2,3-dihydroinden-5-amine?
(1E)-1-[[4-(dimethylamino)phenyl]methylidene]-2,3-dihydroinden-5-amine has a molecular weight of 264.37 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[[4-(dimethylamino)phenyl]methylidene]-2,3-dihydroinden-5-amine is sourced from PubChem (CID 53315280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).