2,4-dimethyl-9-(propylamino)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-1-ol;hydrochloride

C18H28ClNO — CID 19833473

IUPAC2,4-dimethyl-9-(propylamino)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-1-ol;hydrochloride
SMILESCCCNC1c2c(O)c(C)cc(C)c2C2CCCCC21.Cl
InChIInChI=1S/C18H27NO.ClH/c1-4-9-19-17-14-8-6-5-7-13(14)15-11(2)10-12(3)18(20)16(15)17;/h10,13-14,17,19-20H,4-9H2,1-3H3;1H
InChIKeyLLFKGKZEWSAWMF-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.76
Rot. Bonds3

About 2,4-dimethyl-9-(propylamino)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-1-ol;hydrochloride

2,4-dimethyl-9-(propylamino)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-1-ol;hydrochloride (PubChem CID 19833473) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is 2,4-dimethyl-9-(propylamino)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-1-ol;hydrochloride.

Molecular Properties

Compound Name2,4-dimethyl-9-(propylamino)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-1-ol;hydrochloride
PubChem CID19833473
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name2,4-dimethyl-9-(propylamino)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-1-ol;hydrochloride
SMILESCCCNC1c2c(O)c(C)cc(C)c2C2CCCCC21.Cl
InChIInChI=1S/C18H27NO.ClH/c1-4-9-19-17-14-8-6-5-7-13(14)15-11(2)10-12(3)18(20)16(15)17;/h10,13-14,17,19-20H,4-9H2,1-3H3;1H
InChIKeyLLFKGKZEWSAWMF-UHFFFAOYSA-N
XLogP4.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.76
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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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-9-(propylamino)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-1-ol;hydrochloride?
The IUPAC name of 2,4-dimethyl-9-(propylamino)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-1-ol;hydrochloride (CID 19833473) is 2,4-dimethyl-9-(propylamino)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-1-ol;hydrochloride.
What is the SMILES notation for 2,4-dimethyl-9-(propylamino)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-1-ol;hydrochloride?
The canonical SMILES for 2,4-dimethyl-9-(propylamino)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-1-ol;hydrochloride is CCCNC1c2c(O)c(C)cc(C)c2C2CCCCC21.Cl.
What is the InChIKey of 2,4-dimethyl-9-(propylamino)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-1-ol;hydrochloride?
The InChIKey is LLFKGKZEWSAWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO.ClH/c1-4-9-19-17-14-8-6-5-7-13(14)15-11(2)10-12(3)18(20)16(15)17;/h10,13-14,17,19-20H,4-9H2,1-3H3;1H.
What are the key properties of 2,4-dimethyl-9-(propylamino)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-1-ol;hydrochloride?
2,4-dimethyl-9-(propylamino)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-1-ol;hydrochloride has a molecular weight of 309.88 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-9-(propylamino)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-1-ol;hydrochloride is sourced from PubChem (CID 19833473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).