9,9-dimethyl-1-phenyl-3,4,4b,8a-tetrahydrofluoren-2-amine

C21H23N — CID 71235163

IUPAC9,9-dimethyl-1-phenyl-3,4,4b,8a-tetrahydrofluoren-2-amine
SMILESCC1(C)C2=C(CCC(N)=C2c2ccccc2)C2C=CC=CC21
InChIInChI=1S/C21H23N/c1-21(2)17-11-7-6-10-15(17)16-12-13-18(22)19(20(16)21)14-8-4-3-5-9-14/h3-11,15,17H,12-13,22H2,1-2H3
InChIKeyJYJFAPFXRQIXMP-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.84
Rot. Bonds1

About 9,9-dimethyl-1-phenyl-3,4,4b,8a-tetrahydrofluoren-2-amine

9,9-dimethyl-1-phenyl-3,4,4b,8a-tetrahydrofluoren-2-amine (PubChem CID 71235163) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is 9,9-dimethyl-1-phenyl-3,4,4b,8a-tetrahydrofluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-1-phenyl-3,4,4b,8a-tetrahydrofluoren-2-amine
PubChem CID71235163
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC Name9,9-dimethyl-1-phenyl-3,4,4b,8a-tetrahydrofluoren-2-amine
SMILESCC1(C)C2=C(CCC(N)=C2c2ccccc2)C2C=CC=CC21
InChIInChI=1S/C21H23N/c1-21(2)17-11-7-6-10-15(17)16-12-13-18(22)19(20(16)21)14-8-4-3-5-9-14/h3-11,15,17H,12-13,22H2,1-2H3
InChIKeyJYJFAPFXRQIXMP-UHFFFAOYSA-N
XLogP4.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-1-phenyl-3,4,4b,8a-tetrahydrofluoren-2-amine?
The IUPAC name of 9,9-dimethyl-1-phenyl-3,4,4b,8a-tetrahydrofluoren-2-amine (CID 71235163) is 9,9-dimethyl-1-phenyl-3,4,4b,8a-tetrahydrofluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-1-phenyl-3,4,4b,8a-tetrahydrofluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-1-phenyl-3,4,4b,8a-tetrahydrofluoren-2-amine is CC1(C)C2=C(CCC(N)=C2c2ccccc2)C2C=CC=CC21.
What is the InChIKey of 9,9-dimethyl-1-phenyl-3,4,4b,8a-tetrahydrofluoren-2-amine?
The InChIKey is JYJFAPFXRQIXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N/c1-21(2)17-11-7-6-10-15(17)16-12-13-18(22)19(20(16)21)14-8-4-3-5-9-14/h3-11,15,17H,12-13,22H2,1-2H3.
What are the key properties of 9,9-dimethyl-1-phenyl-3,4,4b,8a-tetrahydrofluoren-2-amine?
9,9-dimethyl-1-phenyl-3,4,4b,8a-tetrahydrofluoren-2-amine has a molecular weight of 289.42 g/mol, XLogP of 4.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-1-phenyl-3,4,4b,8a-tetrahydrofluoren-2-amine is sourced from PubChem (CID 71235163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).