1-(2,6-difluorophenyl)-N-ethyl-N-(3-methylphenyl)ethane-1,2-diamine

C17H20F2N2 — CID 61077098

IUPAC1-(2,6-difluorophenyl)-N-ethyl-N-(3-methylphenyl)ethane-1,2-diamine
SMILESCCN(c1cccc(C)c1)C(CN)c1c(F)cccc1F
InChIInChI=1S/C17H20F2N2/c1-3-21(13-7-4-6-12(2)10-13)16(11-20)17-14(18)8-5-9-15(17)19/h4-10,16H,3,11,20H2,1-2H3
InChIKeyWCNOQTQISKHZTJ-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.80
Rot. Bonds5

About 1-(2,6-difluorophenyl)-N-ethyl-N-(3-methylphenyl)ethane-1,2-diamine

1-(2,6-difluorophenyl)-N-ethyl-N-(3-methylphenyl)ethane-1,2-diamine (PubChem CID 61077098) has the molecular formula C17H20F2N2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-ethyl-N-(3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-ethyl-N-(3-methylphenyl)ethane-1,2-diamine
PubChem CID61077098
Molecular FormulaC17H20F2N2
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(2,6-difluorophenyl)-N-ethyl-N-(3-methylphenyl)ethane-1,2-diamine
SMILESCCN(c1cccc(C)c1)C(CN)c1c(F)cccc1F
InChIInChI=1S/C17H20F2N2/c1-3-21(13-7-4-6-12(2)10-13)16(11-20)17-14(18)8-5-9-15(17)19/h4-10,16H,3,11,20H2,1-2H3
InChIKeyWCNOQTQISKHZTJ-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

N-ethyl-1-(2-methylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 61076579
1-(2-chloro-6-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine
CID 43080648
N-ethyl-1-(5-ethylthiophen-2-yl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 62347355
N-ethyl-N-(3-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine
CID 61076742
1-(2,3-difluorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 63668595
1-(2,3-difluorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 63668426
(1R)-1-[2-(N-ethyl-3-methylanilino)-6-fluorophenyl]ethanol
CID 63371105
4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(3-methylphenyl)aniline
CID 78934620
1-(N-ethyl-3-methylanilino)propan-1-ol
CID 21331015
1-(2,6-difluorophenyl)-N,N-dipropylethane-1,2-diamine
CID 16794999
1-(4-fluoro-3-methylphenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 62122195
4-amino-3-(N-ethyl-3-methylanilino)-N-methylbutanamide
CID 66428621

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-ethyl-N-(3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-ethyl-N-(3-methylphenyl)ethane-1,2-diamine (CID 61077098) is 1-(2,6-difluorophenyl)-N-ethyl-N-(3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-ethyl-N-(3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-ethyl-N-(3-methylphenyl)ethane-1,2-diamine is CCN(c1cccc(C)c1)C(CN)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-ethyl-N-(3-methylphenyl)ethane-1,2-diamine?
The InChIKey is WCNOQTQISKHZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2/c1-3-21(13-7-4-6-12(2)10-13)16(11-20)17-14(18)8-5-9-15(17)19/h4-10,16H,3,11,20H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-ethyl-N-(3-methylphenyl)ethane-1,2-diamine?
1-(2,6-difluorophenyl)-N-ethyl-N-(3-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-(2,6-difluorophenyl)-N-ethyl-N-(3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 61077098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).