1-(2,4-difluorophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine

C17H20F2N2 — CID 43184725

IUPAC1-(2,4-difluorophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine
SMILESCCN(c1ccccc1C)C(CN)c1ccc(F)cc1F
InChIInChI=1S/C17H20F2N2/c1-3-21(16-7-5-4-6-12(16)2)17(11-20)14-9-8-13(18)10-15(14)19/h4-10,17H,3,11,20H2,1-2H3
InChIKeyYRPQPFCRUSIEKF-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.80
Rot. Bonds5

About 1-(2,4-difluorophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine

1-(2,4-difluorophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine (PubChem CID 43184725) has the molecular formula C17H20F2N2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine
PubChem CID43184725
Molecular FormulaC17H20F2N2
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(2,4-difluorophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine
SMILESCCN(c1ccccc1C)C(CN)c1ccc(F)cc1F
InChIInChI=1S/C17H20F2N2/c1-3-21(16-7-5-4-6-12(16)2)17(11-20)14-9-8-13(18)10-15(14)19/h4-10,17H,3,11,20H2,1-2H3
InChIKeyYRPQPFCRUSIEKF-UHFFFAOYSA-N
XLogP3.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine
CID 79578411
1-(3-bromophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine
CID 43104509
1-(2,4-difluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271035
1-(2,4-difluorophenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
CID 43570816
1-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine
CID 43822938
1-(2,4-difluorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine
CID 62002988
1-(2,4-difluorophenyl)-N-(4-ethylphenyl)-N-methylethane-1,2-diamine
CID 62002798
1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 62135312
1-(2,4-difluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112658297
N-ethyl-1-(2-methylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 61076579
1-(5-chloro-2-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine
CID 114842813
N-ethyl-1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62134123

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine (CID 43184725) is 1-(2,4-difluorophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine is CCN(c1ccccc1C)C(CN)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine?
The InChIKey is YRPQPFCRUSIEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2/c1-3-21(16-7-5-4-6-12(16)2)17(11-20)14-9-8-13(18)10-15(14)19/h4-10,17H,3,11,20H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine?
1-(2,4-difluorophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine has a molecular weight of 290.36 g/mol, XLogP of 3.80, 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-ethyl-N-(2-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 43184725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).