methyl 2-[4-(9H-fluoren-9-ylamino)phenyl]acetate

C22H19NO2 — CID 174449731

IUPACmethyl 2-[4-(9H-fluoren-9-ylamino)phenyl]acetate
SMILESCOC(=O)Cc1ccc(NC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C22H19NO2/c1-25-21(24)14-15-10-12-16(13-11-15)23-22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-13,22-23H,14H2,1H3
InChIKeyDOBLIJNSFWNQDZ-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.58
Rot. Bonds4

About methyl 2-[4-(9H-fluoren-9-ylamino)phenyl]acetate

methyl 2-[4-(9H-fluoren-9-ylamino)phenyl]acetate (PubChem CID 174449731) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is methyl 2-[4-(9H-fluoren-9-ylamino)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(9H-fluoren-9-ylamino)phenyl]acetate
PubChem CID174449731
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Namemethyl 2-[4-(9H-fluoren-9-ylamino)phenyl]acetate
SMILESCOC(=O)Cc1ccc(NC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C22H19NO2/c1-25-21(24)14-15-10-12-16(13-11-15)23-22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-13,22-23H,14H2,1H3
InChIKeyDOBLIJNSFWNQDZ-UHFFFAOYSA-N
XLogP4.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(9H-fluoren-9-ylamino)phenyl]acetate?
The IUPAC name of methyl 2-[4-(9H-fluoren-9-ylamino)phenyl]acetate (CID 174449731) is methyl 2-[4-(9H-fluoren-9-ylamino)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-(9H-fluoren-9-ylamino)phenyl]acetate?
The canonical SMILES for methyl 2-[4-(9H-fluoren-9-ylamino)phenyl]acetate is COC(=O)Cc1ccc(NC2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of methyl 2-[4-(9H-fluoren-9-ylamino)phenyl]acetate?
The InChIKey is DOBLIJNSFWNQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c1-25-21(24)14-15-10-12-16(13-11-15)23-22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-13,22-23H,14H2,1H3.
What are the key properties of methyl 2-[4-(9H-fluoren-9-ylamino)phenyl]acetate?
methyl 2-[4-(9H-fluoren-9-ylamino)phenyl]acetate has a molecular weight of 329.40 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(9H-fluoren-9-ylamino)phenyl]acetate is sourced from PubChem (CID 174449731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).