9-amino-2,4-dimethyl-5,6,7,8,8a,9-hexahydro-4bH-fluoren-1-ol

C15H21NO — CID 15157235

IUPAC9-amino-2,4-dimethyl-5,6,7,8,8a,9-hexahydro-4bH-fluoren-1-ol
SMILESCc1cc(C)c2c(c1O)C(N)C1CCCCC21
InChIInChI=1S/C15H21NO/c1-8-7-9(2)15(17)13-12(8)10-5-3-4-6-11(10)14(13)16/h7,10-11,14,17H,3-6,16H2,1-2H3
InChIKeyJEOSXTJEODPJSU-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.30
Rot. Bonds

About 9-amino-2,4-dimethyl-5,6,7,8,8a,9-hexahydro-4bH-fluoren-1-ol

9-amino-2,4-dimethyl-5,6,7,8,8a,9-hexahydro-4bH-fluoren-1-ol (PubChem CID 15157235) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 9-amino-2,4-dimethyl-5,6,7,8,8a,9-hexahydro-4bH-fluoren-1-ol.

Molecular Properties

Compound Name9-amino-2,4-dimethyl-5,6,7,8,8a,9-hexahydro-4bH-fluoren-1-ol
PubChem CID15157235
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name9-amino-2,4-dimethyl-5,6,7,8,8a,9-hexahydro-4bH-fluoren-1-ol
SMILESCc1cc(C)c2c(c1O)C(N)C1CCCCC21
InChIInChI=1S/C15H21NO/c1-8-7-9(2)15(17)13-12(8)10-5-3-4-6-11(10)14(13)16/h7,10-11,14,17H,3-6,16H2,1-2H3
InChIKeyJEOSXTJEODPJSU-UHFFFAOYSA-N
XLogP3.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-2-Amino-3-phenyl-indan-5-ol
CID 10537185
3-amino-2,3-dihydro-1H-inden-4-ol hydrochloride
CID 13376844
17-Aminoestra-1(10),2,4-triene-3-ol
CID 11346299
(1R,2R)-2-Amino-1-phenyl-indan-5-ol
CID 10656804
4b-(Methylamino)-5,6,7,8,8a,9-hexahydrofluoren-3-ol
CID 44373888
17beta-Aminoestradiol
CID 11231075
2-[(Cyclohexylamino)methyl]-4,5-dimethylphenol;hydrochloride
CID 44531450
3-amino-5,7-dimethyl-2,3-dihydro-1H-inden-4-ol;hydrochloride
CID 12857263
1-Amino-7-hydroxy-6-iodo-4-methylindane hydrochloride
CID 13376846
1-Amino-7-hydroxy-4-methylindane hydrochloride
CID 13604170
3-amino-7-methyl-5-propyl-2,3-dihydro-1H-inden-4-ol;hydrochloride
CID 13604176
3-amino-7-methyl-5-(2-methylpropyl)-2,3-dihydro-1H-inden-4-ol;hydrochloride
CID 13604178

Frequently Asked Questions

What is the IUPAC name of 9-amino-2,4-dimethyl-5,6,7,8,8a,9-hexahydro-4bH-fluoren-1-ol?
The IUPAC name of 9-amino-2,4-dimethyl-5,6,7,8,8a,9-hexahydro-4bH-fluoren-1-ol (CID 15157235) is 9-amino-2,4-dimethyl-5,6,7,8,8a,9-hexahydro-4bH-fluoren-1-ol.
What is the SMILES notation for 9-amino-2,4-dimethyl-5,6,7,8,8a,9-hexahydro-4bH-fluoren-1-ol?
The canonical SMILES for 9-amino-2,4-dimethyl-5,6,7,8,8a,9-hexahydro-4bH-fluoren-1-ol is Cc1cc(C)c2c(c1O)C(N)C1CCCCC21.
What is the InChIKey of 9-amino-2,4-dimethyl-5,6,7,8,8a,9-hexahydro-4bH-fluoren-1-ol?
The InChIKey is JEOSXTJEODPJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-8-7-9(2)15(17)13-12(8)10-5-3-4-6-11(10)14(13)16/h7,10-11,14,17H,3-6,16H2,1-2H3.
What are the key properties of 9-amino-2,4-dimethyl-5,6,7,8,8a,9-hexahydro-4bH-fluoren-1-ol?
9-amino-2,4-dimethyl-5,6,7,8,8a,9-hexahydro-4bH-fluoren-1-ol has a molecular weight of 231.34 g/mol, XLogP of 3.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-2,4-dimethyl-5,6,7,8,8a,9-hexahydro-4bH-fluoren-1-ol is sourced from PubChem (CID 15157235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).