1-(4-ethoxy-3,5-difluoro-2-methylphenyl)ethane-1,2-diamine

C11H16F2N2O — CID 66518126

IUPAC1-(4-ethoxy-3,5-difluoro-2-methylphenyl)ethane-1,2-diamine
SMILESCCOc1c(F)cc(C(N)CN)c(C)c1F
InChIInChI=1S/C11H16F2N2O/c1-3-16-11-8(12)4-7(9(15)5-14)6(2)10(11)13/h4,9H,3,5,14-15H2,1-2H3
InChIKeyGCGFRRZJVOVOSK-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.63
Rot. Bonds4

About 1-(4-ethoxy-3,5-difluoro-2-methylphenyl)ethane-1,2-diamine

1-(4-ethoxy-3,5-difluoro-2-methylphenyl)ethane-1,2-diamine (PubChem CID 66518126) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-(4-ethoxy-3,5-difluoro-2-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-ethoxy-3,5-difluoro-2-methylphenyl)ethane-1,2-diamine
PubChem CID66518126
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name1-(4-ethoxy-3,5-difluoro-2-methylphenyl)ethane-1,2-diamine
SMILESCCOc1c(F)cc(C(N)CN)c(C)c1F
InChIInChI=1S/C11H16F2N2O/c1-3-16-11-8(12)4-7(9(15)5-14)6(2)10(11)13/h4,9H,3,5,14-15H2,1-2H3
InChIKeyGCGFRRZJVOVOSK-UHFFFAOYSA-N
XLogP1.63
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2,3,4,5-tetrafluorophenyl)ethane-1,2-diamine
CID 66516916
1-(2-ethoxy-4,5-dimethylphenyl)ethane-1,2-diamine
CID 66516824
2-amino-2-(3,5-difluoro-2,4-dimethylphenyl)ethanol
CID 84776170
4-ethoxy-2,3,5-trifluorophenol
CID 174599301
2,4-diethoxy-1,3-difluoro-5-iodobenzene
CID 50998226
2-amino-2-(2-ethoxy-3,5-difluorophenyl)ethanol
CID 83887419
1-(3-chloro-2-ethoxy-5-ethylphenyl)ethane-1,2-diamine
CID 170894996
1-(3-chloro-4-ethoxy-5-methylphenyl)ethane-1,2-diamine
CID 66517966
2-ethoxy-1,3-difluoro-4-methylsulfanylbenzene
CID 164894235
(1S)-1-(2-ethyl-3,4-difluorophenyl)ethane-1,2-diamine
CID 131029109
1-(4-ethoxy-3,5-difluorophenyl)propan-2-amine;hydrochloride
CID 170894171
1-(3,5-difluoro-2-methyl-4-propoxyphenyl)butan-2-amine
CID 170890371

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3,5-difluoro-2-methylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-ethoxy-3,5-difluoro-2-methylphenyl)ethane-1,2-diamine (CID 66518126) is 1-(4-ethoxy-3,5-difluoro-2-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-ethoxy-3,5-difluoro-2-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-ethoxy-3,5-difluoro-2-methylphenyl)ethane-1,2-diamine is CCOc1c(F)cc(C(N)CN)c(C)c1F.
What is the InChIKey of 1-(4-ethoxy-3,5-difluoro-2-methylphenyl)ethane-1,2-diamine?
The InChIKey is GCGFRRZJVOVOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O/c1-3-16-11-8(12)4-7(9(15)5-14)6(2)10(11)13/h4,9H,3,5,14-15H2,1-2H3.
What are the key properties of 1-(4-ethoxy-3,5-difluoro-2-methylphenyl)ethane-1,2-diamine?
1-(4-ethoxy-3,5-difluoro-2-methylphenyl)ethane-1,2-diamine has a molecular weight of 230.26 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3,5-difluoro-2-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 66518126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).