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

C11H17FN2O — CID 116934854

IUPACN'-ethyl-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
SMILESCCNCC(N)c1ccc(OC)c(F)c1
InChIInChI=1S/C11H17FN2O/c1-3-14-7-10(13)8-4-5-11(15-2)9(12)6-8/h4-6,10,14H,3,7,13H2,1-2H3
InChIKeyAJRKKHQHUSWVTO-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.44
Rot. Bonds5

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

N'-ethyl-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine (PubChem CID 116934854) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is N'-ethyl-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
PubChem CID116934854
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC NameN'-ethyl-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
SMILESCCNCC(N)c1ccc(OC)c(F)c1
InChIInChI=1S/C11H17FN2O/c1-3-14-7-10(13)8-4-5-11(15-2)9(12)6-8/h4-6,10,14H,3,7,13H2,1-2H3
InChIKeyAJRKKHQHUSWVTO-UHFFFAOYSA-N
XLogP1.44
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N'-ethyl-1-(3-fluoro-4-methoxyphenyl)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'-ethyl-1-(3-fluoro-4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 116905861
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989
1-(3-fluoro-4-methoxyphenyl)hexan-1-amine
CID 43474211
3-ethyl-1-(3-fluoro-4-methoxyphenyl)pentan-1-amine
CID 105028399
(1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride
CID 171221010
(1R)-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171201487
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol
CID 116861391
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-2-one
CID 116940504
3-amino-3-(3-fluoro-4-methoxyphenyl)propanehydrazide
CID 116848734
1-(3-fluoro-4-methoxyphenyl)-2-pentan-2-yloxyethanamine
CID 107524072
1-(3-fluoro-4-methoxyphenyl)-3-methylhexan-1-amine
CID 115845654
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine (CID 116934854) is N'-ethyl-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine is CCNCC(N)c1ccc(OC)c(F)c1.
What is the InChIKey of N'-ethyl-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is AJRKKHQHUSWVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-3-14-7-10(13)8-4-5-11(15-2)9(12)6-8/h4-6,10,14H,3,7,13H2,1-2H3.
What are the key properties of N'-ethyl-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine?
N'-ethyl-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 212.27 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 116934854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).