N'-ethyl-1-(3-fluoro-4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine

C13H21FN2O — CID 116905861

IUPACN'-ethyl-1-(3-fluoro-4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCCNCC(c1ccc(OC)c(F)c1)N(C)C
InChIInChI=1S/C13H21FN2O/c1-5-15-9-12(16(2)3)10-6-7-13(17-4)11(14)8-10/h6-8,12,15H,5,9H2,1-4H3
InChIKeyIUQBHNHDXQLNLD-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.05
Rot. Bonds6

About N'-ethyl-1-(3-fluoro-4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine

N'-ethyl-1-(3-fluoro-4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine (PubChem CID 116905861) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is N'-ethyl-1-(3-fluoro-4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-1-(3-fluoro-4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
PubChem CID116905861
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC NameN'-ethyl-1-(3-fluoro-4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCCNCC(c1ccc(OC)c(F)c1)N(C)C
InChIInChI=1S/C13H21FN2O/c1-5-15-9-12(16(2)3)10-6-7-13(17-4)11(14)8-10/h6-8,12,15H,5,9H2,1-4H3
InChIKeyIUQBHNHDXQLNLD-UHFFFAOYSA-N
XLogP2.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-ethyl-1-(3-fluoro-4-methoxyphenyl)-N,N-dimethylethane-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

1-(3-fluoro-4-methoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 116905987
N'-ethyl-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
CID 116934854
4-(dimethylamino)-4-(3-fluoro-4-methoxyphenyl)butan-2-one
CID 116910493
N'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 43177837
1-(3-fluoro-4-methoxyphenyl)-N,N',N'-trimethylmethanediamine
CID 116909206
N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 43493752
N'-ethyl-1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 116905892
4-butan-2-yl-2-fluoro-1-methoxybenzene
CID 126760207
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43493755
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 40901223
1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine
CID 115985642
2,2-diethoxy-N-ethyl-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 79495027

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1-(3-fluoro-4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-ethyl-1-(3-fluoro-4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine (CID 116905861) is N'-ethyl-1-(3-fluoro-4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-1-(3-fluoro-4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-1-(3-fluoro-4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine is CCNCC(c1ccc(OC)c(F)c1)N(C)C.
What is the InChIKey of N'-ethyl-1-(3-fluoro-4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is IUQBHNHDXQLNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-5-15-9-12(16(2)3)10-6-7-13(17-4)11(14)8-10/h6-8,12,15H,5,9H2,1-4H3.
What are the key properties of N'-ethyl-1-(3-fluoro-4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
N'-ethyl-1-(3-fluoro-4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 240.32 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-1-(3-fluoro-4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 116905861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).