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

C14H22F2N2 — CID 106528505

IUPAC1-(3,5-difluorophenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine
SMILESCCC(C)CN(C)C(CN)c1cc(F)cc(F)c1
InChIInChI=1S/C14H22F2N2/c1-4-10(2)9-18(3)14(8-17)11-5-12(15)7-13(16)6-11/h5-7,10,14H,4,8-9,17H2,1-3H3
InChIKeyILYBJDBNGOFNIL-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.94
Rot. Bonds6

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

1-(3,5-difluorophenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine (PubChem CID 106528505) has the molecular formula C14H22F2N2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine
PubChem CID106528505
Molecular FormulaC14H22F2N2
Molecular Weight256.34 g/mol
Exact Mass256.18
IUPAC Name1-(3,5-difluorophenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine
SMILESCCC(C)CN(C)C(CN)c1cc(F)cc(F)c1
InChIInChI=1S/C14H22F2N2/c1-4-10(2)9-18(3)14(8-17)11-5-12(15)7-13(16)6-11/h5-7,10,14H,4,8-9,17H2,1-3H3
InChIKeyILYBJDBNGOFNIL-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

N-methyl-N-(2-methylbutyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 43295551
1-(4-chloro-2-fluorophenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine
CID 114842869
1-(3,5-difluorophenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 106528519
1-(3,5-difluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 106528761
N-methyl-N-(2-methylbutyl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine
CID 43295528
N-benzyl-1-(3,5-difluorophenyl)-N-methylethane-1,2-diamine
CID 106528482
1-(3,5-difluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 106528656
1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43271936
1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methyl-N-propylethane-1,2-diamine
CID 115350824
1-(3,5-difluorophenyl)-N-[2-(dimethylamino)ethyl]-N-propylethane-1,2-diamine
CID 106528613
1-(2-ethylphenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine
CID 62390906
N',2-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine
CID 43295447

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine (CID 106528505) is 1-(3,5-difluorophenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine is CCC(C)CN(C)C(CN)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine?
The InChIKey is ILYBJDBNGOFNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2/c1-4-10(2)9-18(3)14(8-17)11-5-12(15)7-13(16)6-11/h5-7,10,14H,4,8-9,17H2,1-3H3.
What are the key properties of 1-(3,5-difluorophenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine?
1-(3,5-difluorophenyl)-N-methyl-N-(2-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-(3,5-difluorophenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 106528505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).