4-(9-methyl-9H-fluoren-2-yl)aniline

C20H17N — CID 58384009

IUPAC4-(9-methyl-9H-fluoren-2-yl)aniline
SMILESCC1c2ccccc2-c2ccc(-c3ccc(N)cc3)cc21
InChIInChI=1S/C20H17N/c1-13-17-4-2-3-5-18(17)19-11-8-15(12-20(13)19)14-6-9-16(21)10-7-14/h2-13H,21H2,1H3
InChIKeyDETOUCYLGDVSNG-UHFFFAOYSA-N
MW271.36 g/mol
LogP5.07
Rot. Bonds1

About 4-(9-methyl-9H-fluoren-2-yl)aniline

4-(9-methyl-9H-fluoren-2-yl)aniline (PubChem CID 58384009) has the molecular formula C20H17N and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(9-methyl-9H-fluoren-2-yl)aniline.

Molecular Properties

Compound Name4-(9-methyl-9H-fluoren-2-yl)aniline
PubChem CID58384009
Molecular FormulaC20H17N
Molecular Weight271.36 g/mol
Exact Mass271.14
IUPAC Name4-(9-methyl-9H-fluoren-2-yl)aniline
SMILESCC1c2ccccc2-c2ccc(-c3ccc(N)cc3)cc21
InChIInChI=1S/C20H17N/c1-13-17-4-2-3-5-18(17)19-11-8-15(12-20(13)19)14-6-9-16(21)10-7-14/h2-13H,21H2,1H3
InChIKeyDETOUCYLGDVSNG-UHFFFAOYSA-N
XLogP5.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.36
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(9-methyl-9H-fluoren-2-yl)aniline?
The IUPAC name of 4-(9-methyl-9H-fluoren-2-yl)aniline (CID 58384009) is 4-(9-methyl-9H-fluoren-2-yl)aniline.
What is the SMILES notation for 4-(9-methyl-9H-fluoren-2-yl)aniline?
The canonical SMILES for 4-(9-methyl-9H-fluoren-2-yl)aniline is CC1c2ccccc2-c2ccc(-c3ccc(N)cc3)cc21.
What is the InChIKey of 4-(9-methyl-9H-fluoren-2-yl)aniline?
The InChIKey is DETOUCYLGDVSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N/c1-13-17-4-2-3-5-18(17)19-11-8-15(12-20(13)19)14-6-9-16(21)10-7-14/h2-13H,21H2,1H3.
What are the key properties of 4-(9-methyl-9H-fluoren-2-yl)aniline?
4-(9-methyl-9H-fluoren-2-yl)aniline has a molecular weight of 271.36 g/mol, XLogP of 5.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-methyl-9H-fluoren-2-yl)aniline is sourced from PubChem (CID 58384009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).