N-[2-(1,3-dioxolan-2-yl)ethyl]-4-fluoro-N-methylaniline

C12H16FNO2 — CID 91660729

IUPACN-[2-(1,3-dioxolan-2-yl)ethyl]-4-fluoro-N-methylaniline
SMILESCN(CCC1OCCO1)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c1-14(7-6-12-15-8-9-16-12)11-4-2-10(13)3-5-11/h2-5,12H,6-9H2,1H3
InChIKeyWVIDJRWKQJEWDL-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.02
Rot. Bonds4

About N-[2-(1,3-dioxolan-2-yl)ethyl]-4-fluoro-N-methylaniline

N-[2-(1,3-dioxolan-2-yl)ethyl]-4-fluoro-N-methylaniline (PubChem CID 91660729) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is N-[2-(1,3-dioxolan-2-yl)ethyl]-4-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[2-(1,3-dioxolan-2-yl)ethyl]-4-fluoro-N-methylaniline
PubChem CID91660729
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC NameN-[2-(1,3-dioxolan-2-yl)ethyl]-4-fluoro-N-methylaniline
SMILESCN(CCC1OCCO1)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c1-14(7-6-12-15-8-9-16-12)11-4-2-10(13)3-5-11/h2-5,12H,6-9H2,1H3
InChIKeyWVIDJRWKQJEWDL-UHFFFAOYSA-N
XLogP2.02
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-(1,3-dioxolan-2-yl)ethyl]-4-fluoro-N-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(3,5-Difluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 20610159
1-(2-Fluorophenyl)-4,4-dimethoxypiperidine
CID 820828
4-ethoxy-1-(2-fluorophenyl)-3,6-dihydro-2H-pyridine
CID 135082676
8-Phenyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 11470039
N-(2,2-dimethoxyethyl)-N-methylaniline
CID 15535037
N-(2,2-diethoxyethyl)-4-fluoroaniline
CID 2774039
8-(4-Fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 16202468
3-Methyl-3-propyl-8-(3,4,5-trifluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 17808717
8-(3,4-Difluorophenyl)-3-methyl-3-propyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 17808725
2-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-3-fluoroaniline
CID 17931964
[2-(2,2-Dimethyl-[1,3]dioxolan-4-ylmethoxy)-ethyl]-(2-fluoro-phenyl)-amine
CID 18348844
[2-(2,2-Dimethyl-[1,3]dioxolan-4-ylmethoxy)-ethyl]-(4-fluoro-phenyl)-amine
CID 18348993

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxolan-2-yl)ethyl]-4-fluoro-N-methylaniline?
The IUPAC name of N-[2-(1,3-dioxolan-2-yl)ethyl]-4-fluoro-N-methylaniline (CID 91660729) is N-[2-(1,3-dioxolan-2-yl)ethyl]-4-fluoro-N-methylaniline.
What is the SMILES notation for N-[2-(1,3-dioxolan-2-yl)ethyl]-4-fluoro-N-methylaniline?
The canonical SMILES for N-[2-(1,3-dioxolan-2-yl)ethyl]-4-fluoro-N-methylaniline is CN(CCC1OCCO1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(1,3-dioxolan-2-yl)ethyl]-4-fluoro-N-methylaniline?
The InChIKey is WVIDJRWKQJEWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-14(7-6-12-15-8-9-16-12)11-4-2-10(13)3-5-11/h2-5,12H,6-9H2,1H3.
What are the key properties of N-[2-(1,3-dioxolan-2-yl)ethyl]-4-fluoro-N-methylaniline?
N-[2-(1,3-dioxolan-2-yl)ethyl]-4-fluoro-N-methylaniline has a molecular weight of 225.26 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxolan-2-yl)ethyl]-4-fluoro-N-methylaniline is sourced from PubChem (CID 91660729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).