9-[[2-(2-aminoethoxy)phenyl]methylidene]fluoren-2-amine

C22H20N2O — CID 123476268

IUPAC9-[[2-(2-aminoethoxy)phenyl]methylidene]fluoren-2-amine
SMILESNCCOc1ccccc1C=C1c2ccccc2-c2ccc(N)cc21
InChIInChI=1S/C22H20N2O/c23-11-12-25-22-8-4-1-5-15(22)13-20-18-7-3-2-6-17(18)19-10-9-16(24)14-21(19)20/h1-10,13-14H,11-12,23-24H2
InChIKeyUCDAMVUQNSOSQO-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.18
Rot. Bonds4

About 9-[[2-(2-aminoethoxy)phenyl]methylidene]fluoren-2-amine

9-[[2-(2-aminoethoxy)phenyl]methylidene]fluoren-2-amine (PubChem CID 123476268) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 9-[[2-(2-aminoethoxy)phenyl]methylidene]fluoren-2-amine.

Molecular Properties

Compound Name9-[[2-(2-aminoethoxy)phenyl]methylidene]fluoren-2-amine
PubChem CID123476268
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name9-[[2-(2-aminoethoxy)phenyl]methylidene]fluoren-2-amine
SMILESNCCOc1ccccc1C=C1c2ccccc2-c2ccc(N)cc21
InChIInChI=1S/C22H20N2O/c23-11-12-25-22-8-4-1-5-15(22)13-20-18-7-3-2-6-17(18)19-10-9-16(24)14-21(19)20/h1-10,13-14H,11-12,23-24H2
InChIKeyUCDAMVUQNSOSQO-UHFFFAOYSA-N
XLogP4.18
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_anil_A(1)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[[2-(2-aminoethoxy)phenyl]methylidene]fluoren-2-amine?
The IUPAC name of 9-[[2-(2-aminoethoxy)phenyl]methylidene]fluoren-2-amine (CID 123476268) is 9-[[2-(2-aminoethoxy)phenyl]methylidene]fluoren-2-amine.
What is the SMILES notation for 9-[[2-(2-aminoethoxy)phenyl]methylidene]fluoren-2-amine?
The canonical SMILES for 9-[[2-(2-aminoethoxy)phenyl]methylidene]fluoren-2-amine is NCCOc1ccccc1C=C1c2ccccc2-c2ccc(N)cc21.
What is the InChIKey of 9-[[2-(2-aminoethoxy)phenyl]methylidene]fluoren-2-amine?
The InChIKey is UCDAMVUQNSOSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c23-11-12-25-22-8-4-1-5-15(22)13-20-18-7-3-2-6-17(18)19-10-9-16(24)14-21(19)20/h1-10,13-14H,11-12,23-24H2.
What are the key properties of 9-[[2-(2-aminoethoxy)phenyl]methylidene]fluoren-2-amine?
9-[[2-(2-aminoethoxy)phenyl]methylidene]fluoren-2-amine has a molecular weight of 328.42 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[2-(2-aminoethoxy)phenyl]methylidene]fluoren-2-amine is sourced from PubChem (CID 123476268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).