1-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine

C17H20F2N2 — CID 62002810

IUPAC1-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine
SMILESCc1cc(C)cc(N(C)C(CN)c2cc(F)ccc2F)c1
InChIInChI=1S/C17H20F2N2/c1-11-6-12(2)8-14(7-11)21(3)17(10-20)15-9-13(18)4-5-16(15)19/h4-9,17H,10,20H2,1-3H3
InChIKeySSDLEZHIAAUTBL-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.72
Rot. Bonds4

About 1-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine

1-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine (PubChem CID 62002810) has the molecular formula C17H20F2N2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine
PubChem CID62002810
Molecular FormulaC17H20F2N2
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine
SMILESCc1cc(C)cc(N(C)C(CN)c2cc(F)ccc2F)c1
InChIInChI=1S/C17H20F2N2/c1-11-6-12(2)8-14(7-11)21(3)17(10-20)15-9-13(18)4-5-16(15)19/h4-9,17H,10,20H2,1-3H3
InChIKeySSDLEZHIAAUTBL-UHFFFAOYSA-N
XLogP3.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine
CID 62002988
N-(3,5-dimethylphenyl)-N-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 62004079
1-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine
CID 62003703
1-(4-chloro-2-fluorophenyl)-N-(4-fluorophenyl)-N-methylethane-1,2-diamine
CID 114843084
1-(2,4-difluorophenyl)-N-(4-ethylphenyl)-N-methylethane-1,2-diamine
CID 62002798
1-(2,5-difluorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 61425409
1-(2,5-difluorophenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63981615
N'-[2-amino-1-(2,5-difluorophenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 55226755
1-(2,3-difluorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 63668595
1-(4-fluoro-2-methylphenyl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine
CID 62135493
1-(2,5-difluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206811
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-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine (CID 62002810) is 1-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine is Cc1cc(C)cc(N(C)C(CN)c2cc(F)ccc2F)c1.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine?
The InChIKey is SSDLEZHIAAUTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2/c1-11-6-12(2)8-14(7-11)21(3)17(10-20)15-9-13(18)4-5-16(15)19/h4-9,17H,10,20H2,1-3H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine?
1-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine has a molecular weight of 290.36 g/mol, XLogP of 3.72, 4 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-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 62002810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).