N-(1,3-dioxan-4-ylmethyl)-9H-fluoren-2-amine

C18H19NO2 — CID 81093030

IUPACN-(1,3-dioxan-4-ylmethyl)-9H-fluoren-2-amine
SMILESc1ccc2c(c1)Cc1cc(NCC3CCOCO3)ccc1-2
InChIInChI=1S/C18H19NO2/c1-2-4-17-13(3-1)9-14-10-15(5-6-18(14)17)19-11-16-7-8-20-12-21-16/h1-6,10,16,19H,7-9,11-12H2
InChIKeyRSEXZESIQYYOQT-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.43
Rot. Bonds3

About N-(1,3-dioxan-4-ylmethyl)-9H-fluoren-2-amine

N-(1,3-dioxan-4-ylmethyl)-9H-fluoren-2-amine (PubChem CID 81093030) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(1,3-dioxan-4-ylmethyl)-9H-fluoren-2-amine.

Molecular Properties

Compound NameN-(1,3-dioxan-4-ylmethyl)-9H-fluoren-2-amine
PubChem CID81093030
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-(1,3-dioxan-4-ylmethyl)-9H-fluoren-2-amine
SMILESc1ccc2c(c1)Cc1cc(NCC3CCOCO3)ccc1-2
InChIInChI=1S/C18H19NO2/c1-2-4-17-13(3-1)9-14-10-15(5-6-18(14)17)19-11-16-7-8-20-12-21-16/h1-6,10,16,19H,7-9,11-12H2
InChIKeyRSEXZESIQYYOQT-UHFFFAOYSA-N
XLogP3.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxan-4-ylmethyl)-9H-fluoren-2-amine?
The IUPAC name of N-(1,3-dioxan-4-ylmethyl)-9H-fluoren-2-amine (CID 81093030) is N-(1,3-dioxan-4-ylmethyl)-9H-fluoren-2-amine.
What is the SMILES notation for N-(1,3-dioxan-4-ylmethyl)-9H-fluoren-2-amine?
The canonical SMILES for N-(1,3-dioxan-4-ylmethyl)-9H-fluoren-2-amine is c1ccc2c(c1)Cc1cc(NCC3CCOCO3)ccc1-2.
What is the InChIKey of N-(1,3-dioxan-4-ylmethyl)-9H-fluoren-2-amine?
The InChIKey is RSEXZESIQYYOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-2-4-17-13(3-1)9-14-10-15(5-6-18(14)17)19-11-16-7-8-20-12-21-16/h1-6,10,16,19H,7-9,11-12H2.
What are the key properties of N-(1,3-dioxan-4-ylmethyl)-9H-fluoren-2-amine?
N-(1,3-dioxan-4-ylmethyl)-9H-fluoren-2-amine has a molecular weight of 281.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxan-4-ylmethyl)-9H-fluoren-2-amine is sourced from PubChem (CID 81093030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).