1-(2,5-difluorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine

C14H22F2N2 — CID 61425409

IUPAC1-(2,5-difluorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine
SMILESCC(C)CCN(C)C(CN)c1cc(F)ccc1F
InChIInChI=1S/C14H22F2N2/c1-10(2)6-7-18(3)14(9-17)12-8-11(15)4-5-13(12)16/h4-5,8,10,14H,6-7,9,17H2,1-3H3
InChIKeyFIBLQIYFBXVNOM-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.94
Rot. Bonds6

About 1-(2,5-difluorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine

1-(2,5-difluorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine (PubChem CID 61425409) has the molecular formula C14H22F2N2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine
PubChem CID61425409
Molecular FormulaC14H22F2N2
Molecular Weight256.34 g/mol
Exact Mass256.18
IUPAC Name1-(2,5-difluorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine
SMILESCC(C)CCN(C)C(CN)c1cc(F)ccc1F
InChIInChI=1S/C14H22F2N2/c1-10(2)6-7-18(3)14(9-17)12-8-11(15)4-5-13(12)16/h4-5,8,10,14H,6-7,9,17H2,1-3H3
InChIKeyFIBLQIYFBXVNOM-UHFFFAOYSA-N
XLogP2.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-fluorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 114059957
N'-[2-amino-1-(2,5-difluorophenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 55226755
1-(2,5-difluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206811
1-(2,5-difluorophenyl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79475845
1-(2,5-difluorophenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63981615
1-(5-chloro-2-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 114842862
1-(2,4-difluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271035
1-(4-chlorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 61429742
1-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine
CID 62002810
1-(2,4-difluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112658297
1-(2,5-difluorophenyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 63232937
2-(2,5-difluorophenyl)-2-(2,2-dimethylhydrazinyl)ethanamine
CID 83012141

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine?
The IUPAC name of 1-(2,5-difluorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine (CID 61425409) is 1-(2,5-difluorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine is CC(C)CCN(C)C(CN)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine?
The InChIKey is FIBLQIYFBXVNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2/c1-10(2)6-7-18(3)14(9-17)12-8-11(15)4-5-13(12)16/h4-5,8,10,14H,6-7,9,17H2,1-3H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine?
1-(2,5-difluorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine has a molecular weight of 256.34 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 61425409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).