1-(3-chloro-2-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine

C15H15ClF2N2O — CID 114488001

IUPAC1-(3-chloro-2-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(F)c(NC(CN)c2cccc(Cl)c2F)c1
InChIInChI=1S/C15H15ClF2N2O/c1-21-9-5-6-12(17)13(7-9)20-14(8-19)10-3-2-4-11(16)15(10)18/h2-7,14,20H,8,19H2,1H3
InChIKeyYGYOGMKBODBBJX-UHFFFAOYSA-N
MW312.75 g/mol
LogP3.74
Rot. Bonds5

About 1-(3-chloro-2-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine

1-(3-chloro-2-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine (PubChem CID 114488001) has the molecular formula C15H15ClF2N2O and a molecular weight of 312.75 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine
PubChem CID114488001
Molecular FormulaC15H15ClF2N2O
Molecular Weight312.75 g/mol
Exact Mass312.08
IUPAC Name1-(3-chloro-2-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(F)c(NC(CN)c2cccc(Cl)c2F)c1
InChIInChI=1S/C15H15ClF2N2O/c1-21-9-5-6-12(17)13(7-9)20-14(8-19)10-3-2-4-11(16)15(10)18/h2-7,14,20H,8,19H2,1H3
InChIKeyYGYOGMKBODBBJX-UHFFFAOYSA-N
XLogP3.74
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-2-fluorophenyl)-N-(2-fluoro-5-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

1-(3-chloro-4-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine
CID 81146598
1-(2,5-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377522
1-(2,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377102
1-(2-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 65379421
1-(4,5-dibromothiophen-2-yl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine
CID 102839747
1-chloro-3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2-fluorobenzene
CID 81265241
1-(2,3-dichlorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65378776
1-(2,5-dimethoxyphenyl)-N-(3-fluorophenyl)ethane-1,2-diamine
CID 65383399
3-chloro-2-[(2-fluoro-5-methoxyanilino)methyl]phenol
CID 114318245
3-amino-2-(3-chloro-2-fluorophenyl)-1-(3-methoxyphenyl)propan-1-ol
CID 82792629
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 64714865
1-(5-chloro-2-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 114843280

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine (CID 114488001) is 1-(3-chloro-2-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine is COc1ccc(F)c(NC(CN)c2cccc(Cl)c2F)c1.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is YGYOGMKBODBBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF2N2O/c1-21-9-5-6-12(17)13(7-9)20-14(8-19)10-3-2-4-11(16)15(10)18/h2-7,14,20H,8,19H2,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine?
1-(3-chloro-2-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 312.75 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 114488001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).