(4a-amino-1,2,3,4,9,9a-hexahydrofluoren-2-yl)methanol

C14H19NO — CID 10376060

IUPAC(4a-amino-1,2,3,4,9,9a-hexahydrofluoren-2-yl)methanol
SMILESNC12CCC(CO)CC1Cc1ccccc12
InChIInChI=1S/C14H19NO/c15-14-6-5-10(9-16)7-12(14)8-11-3-1-2-4-13(11)14/h1-4,10,12,16H,5-9,15H2
InChIKeyKAXOWBMDDVCDCG-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.81
Rot. Bonds1

About (4a-amino-1,2,3,4,9,9a-hexahydrofluoren-2-yl)methanol

(4a-amino-1,2,3,4,9,9a-hexahydrofluoren-2-yl)methanol (PubChem CID 10376060) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (4a-amino-1,2,3,4,9,9a-hexahydrofluoren-2-yl)methanol.

Molecular Properties

Compound Name(4a-amino-1,2,3,4,9,9a-hexahydrofluoren-2-yl)methanol
PubChem CID10376060
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(4a-amino-1,2,3,4,9,9a-hexahydrofluoren-2-yl)methanol
SMILESNC12CCC(CO)CC1Cc1ccccc12
InChIInChI=1S/C14H19NO/c15-14-6-5-10(9-16)7-12(14)8-11-3-1-2-4-13(11)14/h1-4,10,12,16H,5-9,15H2
InChIKeyKAXOWBMDDVCDCG-UHFFFAOYSA-N
XLogP1.81
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4a-amino-1,2,3,4,9,9a-hexahydrofluoren-2-yl)methanol?
The IUPAC name of (4a-amino-1,2,3,4,9,9a-hexahydrofluoren-2-yl)methanol (CID 10376060) is (4a-amino-1,2,3,4,9,9a-hexahydrofluoren-2-yl)methanol.
What is the SMILES notation for (4a-amino-1,2,3,4,9,9a-hexahydrofluoren-2-yl)methanol?
The canonical SMILES for (4a-amino-1,2,3,4,9,9a-hexahydrofluoren-2-yl)methanol is NC12CCC(CO)CC1Cc1ccccc12.
What is the InChIKey of (4a-amino-1,2,3,4,9,9a-hexahydrofluoren-2-yl)methanol?
The InChIKey is KAXOWBMDDVCDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c15-14-6-5-10(9-16)7-12(14)8-11-3-1-2-4-13(11)14/h1-4,10,12,16H,5-9,15H2.
What are the key properties of (4a-amino-1,2,3,4,9,9a-hexahydrofluoren-2-yl)methanol?
(4a-amino-1,2,3,4,9,9a-hexahydrofluoren-2-yl)methanol has a molecular weight of 217.31 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4a-amino-1,2,3,4,9,9a-hexahydrofluoren-2-yl)methanol is sourced from PubChem (CID 10376060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).