N-[2-(1,3-dioxan-2-yl)ethyl]-1-(2-fluorophenyl)-N-methylethanamine

C15H22FNO2 — CID 66472316

IUPACN-[2-(1,3-dioxan-2-yl)ethyl]-1-(2-fluorophenyl)-N-methylethanamine
SMILESCC(c1ccccc1F)N(C)CCC1OCCCO1
InChIInChI=1S/C15H22FNO2/c1-12(13-6-3-4-7-14(13)16)17(2)9-8-15-18-10-5-11-19-15/h3-4,6-7,12,15H,5,8-11H2,1-2H3
InChIKeyYSEUMFVUSZQEJP-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.97
Rot. Bonds5

About N-[2-(1,3-dioxan-2-yl)ethyl]-1-(2-fluorophenyl)-N-methylethanamine

N-[2-(1,3-dioxan-2-yl)ethyl]-1-(2-fluorophenyl)-N-methylethanamine (PubChem CID 66472316) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[2-(1,3-dioxan-2-yl)ethyl]-1-(2-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-[2-(1,3-dioxan-2-yl)ethyl]-1-(2-fluorophenyl)-N-methylethanamine
PubChem CID66472316
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC NameN-[2-(1,3-dioxan-2-yl)ethyl]-1-(2-fluorophenyl)-N-methylethanamine
SMILESCC(c1ccccc1F)N(C)CCC1OCCCO1
InChIInChI=1S/C15H22FNO2/c1-12(13-6-3-4-7-14(13)16)17(2)9-8-15-18-10-5-11-19-15/h3-4,6-7,12,15H,5,8-11H2,1-2H3
InChIKeyYSEUMFVUSZQEJP-UHFFFAOYSA-N
XLogP2.97
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-(1,3-dioxan-2-yl)ethyl]-1-(2-fluorophenyl)-N-methylethanamine 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

1-(1,3-dioxan-5-yl)-N,N-dimethyl-1-phenylmethanamine;hydrochloride
CID 12369963
N-[1,3-dioxan-5-yl(phenyl)methyl]-N-methylprop-2-en-1-amine;hydrochloride
CID 12370008
N,N-dimethyl-1-(5-methyl-1,3-dioxan-5-yl)-1-phenylmethanamine;hydrochloride
CID 12370016
N,N-dimethyl-1-(4-methyl-1,3-dioxan-5-yl)-1-phenylmethanamine;hydrochloride
CID 12370020
N,N,2-Trimethyl-alpha-phenyl-m-dioxane-5-methylamine
CID 12370021
1-(2-ethyl-1,3-dioxan-5-yl)-N,N-dimethyl-1-phenylmethanamine
CID 12370022
N,N-dimethyl-1-phenyl-1-(2-propan-2-yl-1,3-dioxan-5-yl)methanamine;hydrochloride
CID 12370024
1-(1,3-dioxan-5-yl)-1-(4-fluorophenyl)-N,N-dimethylmethanamine;hydrochloride
CID 12369973
N-[1,3-dioxan-5-yl(phenyl)methyl]-N-ethylethanamine;perchloric acid
CID 12369991
1-(2-cyclohexyl-1,3-dioxan-5-yl)-N,N-dimethyl-1-phenylmethanamine;hydrochloride
CID 12370026
N,N-dimethyl-1-(2-methyl-1,3-dioxan-5-yl)-1-(4-methylphenyl)methanamine;hydrochloride
CID 12370031
1-(2-cyclopentyl-1,3-dioxan-5-yl)-N,N-dimethyl-1-phenylmethanamine
CID 90672815

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxan-2-yl)ethyl]-1-(2-fluorophenyl)-N-methylethanamine?
The IUPAC name of N-[2-(1,3-dioxan-2-yl)ethyl]-1-(2-fluorophenyl)-N-methylethanamine (CID 66472316) is N-[2-(1,3-dioxan-2-yl)ethyl]-1-(2-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for N-[2-(1,3-dioxan-2-yl)ethyl]-1-(2-fluorophenyl)-N-methylethanamine?
The canonical SMILES for N-[2-(1,3-dioxan-2-yl)ethyl]-1-(2-fluorophenyl)-N-methylethanamine is CC(c1ccccc1F)N(C)CCC1OCCCO1.
What is the InChIKey of N-[2-(1,3-dioxan-2-yl)ethyl]-1-(2-fluorophenyl)-N-methylethanamine?
The InChIKey is YSEUMFVUSZQEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-12(13-6-3-4-7-14(13)16)17(2)9-8-15-18-10-5-11-19-15/h3-4,6-7,12,15H,5,8-11H2,1-2H3.
What are the key properties of N-[2-(1,3-dioxan-2-yl)ethyl]-1-(2-fluorophenyl)-N-methylethanamine?
N-[2-(1,3-dioxan-2-yl)ethyl]-1-(2-fluorophenyl)-N-methylethanamine has a molecular weight of 267.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxan-2-yl)ethyl]-1-(2-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 66472316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).