6-benzyl-9,9-dimethylfluoren-3-amine

C22H21N — CID 129301138

IUPAC6-benzyl-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccc(N)cc2-c2cc(Cc3ccccc3)ccc21
InChIInChI=1S/C22H21N/c1-22(2)20-10-8-16(12-15-6-4-3-5-7-15)13-18(20)19-14-17(23)9-11-21(19)22/h3-11,13-14H,12,23H2,1-2H3
InChIKeyBVLYQXZVDARSNN-UHFFFAOYSA-N
MW299.42 g/mol
LogP5.17
Rot. Bonds2

About 6-benzyl-9,9-dimethylfluoren-3-amine

6-benzyl-9,9-dimethylfluoren-3-amine (PubChem CID 129301138) has the molecular formula C22H21N and a molecular weight of 299.42 g/mol. Its IUPAC name is 6-benzyl-9,9-dimethylfluoren-3-amine.

Molecular Properties

Compound Name6-benzyl-9,9-dimethylfluoren-3-amine
PubChem CID129301138
Molecular FormulaC22H21N
Molecular Weight299.42 g/mol
Exact Mass299.17
IUPAC Name6-benzyl-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccc(N)cc2-c2cc(Cc3ccccc3)ccc21
InChIInChI=1S/C22H21N/c1-22(2)20-10-8-16(12-15-6-4-3-5-7-15)13-18(20)19-14-17(23)9-11-21(19)22/h3-11,13-14H,12,23H2,1-2H3
InChIKeyBVLYQXZVDARSNN-UHFFFAOYSA-N
XLogP5.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.42
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9,9-dimethylfluorene-2,6-diamine
CID 156512652
3-[3-benzyl-5-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluorene
CID 145377641
4-[(4-amino-3-phenylphenyl)methyl]-2-phenylaniline
CID 146637396
9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 142504362
3-(4-benzylphenyl)-4-fluoroaniline
CID 104781281
9,9-dimethylfluoren-2-amine;sulfane
CID 142283327
2-N,2-N-dibenzyl-9,9-dimethylfluorene-2,7-diamine
CID 175208267
9,9-dimethyl-2-(2-naphthalen-2-ylethyl)fluorene;9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 142504361
2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene
CID 157190437
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
4-benzyl-3-methylaniline
CID 12846586

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-9,9-dimethylfluoren-3-amine?
The IUPAC name of 6-benzyl-9,9-dimethylfluoren-3-amine (CID 129301138) is 6-benzyl-9,9-dimethylfluoren-3-amine.
What is the SMILES notation for 6-benzyl-9,9-dimethylfluoren-3-amine?
The canonical SMILES for 6-benzyl-9,9-dimethylfluoren-3-amine is CC1(C)c2ccc(N)cc2-c2cc(Cc3ccccc3)ccc21.
What is the InChIKey of 6-benzyl-9,9-dimethylfluoren-3-amine?
The InChIKey is BVLYQXZVDARSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N/c1-22(2)20-10-8-16(12-15-6-4-3-5-7-15)13-18(20)19-14-17(23)9-11-21(19)22/h3-11,13-14H,12,23H2,1-2H3.
What are the key properties of 6-benzyl-9,9-dimethylfluoren-3-amine?
6-benzyl-9,9-dimethylfluoren-3-amine has a molecular weight of 299.42 g/mol, XLogP of 5.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-9,9-dimethylfluoren-3-amine is sourced from PubChem (CID 129301138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).