1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine

C11H16F2N2O — CID 62539902

IUPAC1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCNC(CN)c1ccc(F)cc1F
InChIInChI=1S/C11H16F2N2O/c1-16-5-4-15-11(7-14)9-3-2-8(12)6-10(9)13/h2-3,6,11,15H,4-5,7,14H2,1H3
InChIKeyCERBIHPODKZWEF-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.20
Rot. Bonds6

About 1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine

1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 62539902) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
PubChem CID62539902
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCNC(CN)c1ccc(F)cc1F
InChIInChI=1S/C11H16F2N2O/c1-16-5-4-15-11(7-14)9-3-2-8(12)6-10(9)13/h2-3,6,11,15H,4-5,7,14H2,1H3
InChIKeyCERBIHPODKZWEF-UHFFFAOYSA-N
XLogP1.20
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-difluorophenyl)-N-propylethane-1,2-diamine
CID 62064444
1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethanamine
CID 43177273
3-[[2-amino-1-(2,4-difluorophenyl)ethyl]amino]propan-1-ol
CID 65378664
1-(2,4-difluorophenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912601
1-(2,4-difluorophenyl)-N-ethyl-2-methoxyethanamine
CID 62801049
1-(2,4-difluorophenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105143692
2-(2,4-difluorophenyl)-2-methoxyethanamine
CID 53276228
methyl 3-(2,4-difluorophenyl)-3-(propylamino)propanoate
CID 65235593
1-(2,4-difluorophenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949729
N-[1-(2,4-difluorophenyl)-2-methylsulfanylethyl]propan-1-amine
CID 62800720
1-(2,4-difluorophenyl)-3-methyl-N-propylbutan-1-amine
CID 43496303
1-(2,5-difluorophenyl)-2-(2-methoxyethylamino)propan-1-ol
CID 82316157

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine (CID 62539902) is 1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine is COCCNC(CN)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is CERBIHPODKZWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O/c1-16-5-4-15-11(7-14)9-3-2-8(12)6-10(9)13/h2-3,6,11,15H,4-5,7,14H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 230.26 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 62539902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).