N'-(2-fluorophenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine

C14H21FN2O — CID 104745839

IUPACN'-(2-fluorophenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCNC(CN(C)c1ccccc1F)C1CCOC1
InChIInChI=1S/C14H21FN2O/c1-16-13(11-7-8-18-10-11)9-17(2)14-6-4-3-5-12(14)15/h3-6,11,13,16H,7-10H2,1-2H3
InChIKeyBUSMXKOBNUCJNR-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.89
Rot. Bonds5

About N'-(2-fluorophenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine

N'-(2-fluorophenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 104745839) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N'-(2-fluorophenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-fluorophenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID104745839
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN'-(2-fluorophenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCNC(CN(C)c1ccccc1F)C1CCOC1
InChIInChI=1S/C14H21FN2O/c1-16-13(11-7-8-18-10-11)9-17(2)14-6-4-3-5-12(14)15/h3-6,11,13,16H,7-10H2,1-2H3
InChIKeyBUSMXKOBNUCJNR-UHFFFAOYSA-N
XLogP1.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-(2-fluorophenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine 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

N,N'-dimethyl-N'-(2-methylphenyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745807
N'-[(2-fluorophenyl)methyl]-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745092
N'-(4-methoxyphenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745755
N'-(2-methoxyphenyl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104745738
N,N'-dimethyl-N'-[(6-methyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104746836
N-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745096
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 104865494
N-[(2-fluorophenyl)methyl]-1-(oxolan-3-yl)propan-1-amine
CID 113243463
N,N'-dimethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745169
N,N'-dimethyl-1-(oxolan-3-yl)-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 104744988
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 82806276
2-(2,3-difluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 65330197

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-fluorophenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine (CID 104745839) is N'-(2-fluorophenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-fluorophenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-fluorophenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine is CNC(CN(C)c1ccccc1F)C1CCOC1.
What is the InChIKey of N'-(2-fluorophenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is BUSMXKOBNUCJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-16-13(11-7-8-18-10-11)9-17(2)14-6-4-3-5-12(14)15/h3-6,11,13,16H,7-10H2,1-2H3.
What are the key properties of N'-(2-fluorophenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine?
N'-(2-fluorophenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 252.33 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 104745839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).