9-(1,3-dioxolan-2-yl)-N,N-dimethyl-7-nitro-9H-fluoren-2-amine

C18H18N2O4 — CID 22610641

IUPAC9-(1,3-dioxolan-2-yl)-N,N-dimethyl-7-nitro-9H-fluoren-2-amine
SMILESCN(C)c1ccc2c(c1)C(C1OCCO1)c1cc([N+](=O)[O-])ccc1-2
InChIInChI=1S/C18H18N2O4/c1-19(2)11-3-5-13-14-6-4-12(20(21)22)10-16(14)17(15(13)9-11)18-23-7-8-24-18/h3-6,9-10,17-18H,7-8H2,1-2H3
InChIKeyDKXZWJSSAGNURF-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.15
Rot. Bonds3

About 9-(1,3-dioxolan-2-yl)-N,N-dimethyl-7-nitro-9H-fluoren-2-amine

9-(1,3-dioxolan-2-yl)-N,N-dimethyl-7-nitro-9H-fluoren-2-amine (PubChem CID 22610641) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 9-(1,3-dioxolan-2-yl)-N,N-dimethyl-7-nitro-9H-fluoren-2-amine.

Molecular Properties

Compound Name9-(1,3-dioxolan-2-yl)-N,N-dimethyl-7-nitro-9H-fluoren-2-amine
PubChem CID22610641
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name9-(1,3-dioxolan-2-yl)-N,N-dimethyl-7-nitro-9H-fluoren-2-amine
SMILESCN(C)c1ccc2c(c1)C(C1OCCO1)c1cc([N+](=O)[O-])ccc1-2
InChIInChI=1S/C18H18N2O4/c1-19(2)11-3-5-13-14-6-4-12(20(21)22)10-16(14)17(15(13)9-11)18-23-7-8-24-18/h3-6,9-10,17-18H,7-8H2,1-2H3
InChIKeyDKXZWJSSAGNURF-UHFFFAOYSA-N
XLogP3.15
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-7-nitro-9H-fluoren-2-amine
CID 3762473
[2-(1,3-dioxolan-2-yl)-4-nitrophenyl] methanesulfonate
CID 23272938
iodo-(N-methyl-4-nitroanilino)azanide
CID 163783585
4-[(E)-2-(9,9-dimethyl-7-nitrofluoren-2-yl)ethenyl]-N,N-dimethylaniline
CID 46918435
4-methyl-8-nitro-2,3-dihydro-1,4-benzoxazepin-5-one
CID 67263378
(3R,4S)-4-(dimethylamino)-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-ol
CID 54363446
2-(2,4-dinitrophenyl)-5,5-dimethyl-1,3-dioxane
CID 125483526
4-[6-[4-(dimethylamino)phenyl]-4-(4-nitrophenyl)-2-pyridinyl]-N,N-dimethylaniline
CID 19421082
N,N-dimethyl-6-nitro-2,3-dihydro-1H-inden-1-amine
CID 54164704
(3R,4S)-2,2-dimethyl-4-morpholin-4-yl-6-nitro-3,4-dihydrochromen-3-ol;hydrochloride
CID 70620048
4-[2-(2-iodo-4-nitrophenyl)ethenyl]-N,N-dimethylaniline
CID 72530912
6-nitro-3,4-dihydro-2H-chromene-4-carbaldehyde
CID 59397335

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-dioxolan-2-yl)-N,N-dimethyl-7-nitro-9H-fluoren-2-amine?
The IUPAC name of 9-(1,3-dioxolan-2-yl)-N,N-dimethyl-7-nitro-9H-fluoren-2-amine (CID 22610641) is 9-(1,3-dioxolan-2-yl)-N,N-dimethyl-7-nitro-9H-fluoren-2-amine.
What is the SMILES notation for 9-(1,3-dioxolan-2-yl)-N,N-dimethyl-7-nitro-9H-fluoren-2-amine?
The canonical SMILES for 9-(1,3-dioxolan-2-yl)-N,N-dimethyl-7-nitro-9H-fluoren-2-amine is CN(C)c1ccc2c(c1)C(C1OCCO1)c1cc([N+](=O)[O-])ccc1-2.
What is the InChIKey of 9-(1,3-dioxolan-2-yl)-N,N-dimethyl-7-nitro-9H-fluoren-2-amine?
The InChIKey is DKXZWJSSAGNURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-19(2)11-3-5-13-14-6-4-12(20(21)22)10-16(14)17(15(13)9-11)18-23-7-8-24-18/h3-6,9-10,17-18H,7-8H2,1-2H3.
What are the key properties of 9-(1,3-dioxolan-2-yl)-N,N-dimethyl-7-nitro-9H-fluoren-2-amine?
9-(1,3-dioxolan-2-yl)-N,N-dimethyl-7-nitro-9H-fluoren-2-amine has a molecular weight of 326.35 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,3-dioxolan-2-yl)-N,N-dimethyl-7-nitro-9H-fluoren-2-amine is sourced from PubChem (CID 22610641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).