1-(2,4-difluorophenyl)-N-methyl-N-propylethane-1,2-diamine

C12H18F2N2 — CID 43271035

IUPAC1-(2,4-difluorophenyl)-N-methyl-N-propylethane-1,2-diamine
SMILESCCCN(C)C(CN)c1ccc(F)cc1F
InChIInChI=1S/C12H18F2N2/c1-3-6-16(2)12(8-15)10-5-4-9(13)7-11(10)14/h4-5,7,12H,3,6,8,15H2,1-2H3
InChIKeyQADKSIJXANMPEQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.31
Rot. Bonds5

About 1-(2,4-difluorophenyl)-N-methyl-N-propylethane-1,2-diamine

1-(2,4-difluorophenyl)-N-methyl-N-propylethane-1,2-diamine (PubChem CID 43271035) has the molecular formula C12H18F2N2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-methyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-methyl-N-propylethane-1,2-diamine
PubChem CID43271035
Molecular FormulaC12H18F2N2
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name1-(2,4-difluorophenyl)-N-methyl-N-propylethane-1,2-diamine
SMILESCCCN(C)C(CN)c1ccc(F)cc1F
InChIInChI=1S/C12H18F2N2/c1-3-6-16(2)12(8-15)10-5-4-9(13)7-11(10)14/h4-5,7,12H,3,6,8,15H2,1-2H3
InChIKeyQADKSIJXANMPEQ-UHFFFAOYSA-N
XLogP2.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112658297
1-(5-chloro-2-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 114842862
1-(2,4-difluorophenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
CID 43570816
1-(4-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271043
1-(2,4-difluorophenyl)-N-(4-ethylphenyl)-N-methylethane-1,2-diamine
CID 62002798
1-(2,4-difluorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine
CID 62002988
1-(2,4-difluorophenyl)-N,N-dimethylbutan-1-amine
CID 91482884
1-(3,4-difluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271010
1-(4-bromo-2-fluorophenyl)-N-[2-(dimethylamino)ethyl]-N-methylethane-1,2-diamine
CID 63694470
N'-[2-amino-1-(2,5-difluorophenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 55226755
1-(2,5-difluorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 61425409
N-[(3-bromophenyl)methyl]-1-(2,4-difluorophenyl)-N-methylethane-1,2-diamine
CID 61415951

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-N-propylethane-1,2-diamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-N-propylethane-1,2-diamine (CID 43271035) is 1-(2,4-difluorophenyl)-N-methyl-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-methyl-N-propylethane-1,2-diamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-methyl-N-propylethane-1,2-diamine is CCCN(C)C(CN)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-methyl-N-propylethane-1,2-diamine?
The InChIKey is QADKSIJXANMPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2/c1-3-6-16(2)12(8-15)10-5-4-9(13)7-11(10)14/h4-5,7,12H,3,6,8,15H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-methyl-N-propylethane-1,2-diamine?
1-(2,4-difluorophenyl)-N-methyl-N-propylethane-1,2-diamine has a molecular weight of 228.29 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-methyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 43271035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).