1-(2,3-difluorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine

C17H20F2N2 — CID 63668426

IUPAC1-(2,3-difluorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
SMILESCCN(c1ccc(C)cc1)C(CN)c1cccc(F)c1F
InChIInChI=1S/C17H20F2N2/c1-3-21(13-9-7-12(2)8-10-13)16(11-20)14-5-4-6-15(18)17(14)19/h4-10,16H,3,11,20H2,1-2H3
InChIKeyHJLJHPDLWIDJKB-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.80
Rot. Bonds5

About 1-(2,3-difluorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine

1-(2,3-difluorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 63668426) has the molecular formula C17H20F2N2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
PubChem CID63668426
Molecular FormulaC17H20F2N2
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(2,3-difluorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
SMILESCCN(c1ccc(C)cc1)C(CN)c1cccc(F)c1F
InChIInChI=1S/C17H20F2N2/c1-3-21(13-9-7-12(2)8-10-13)16(11-20)14-5-4-6-15(18)17(14)19/h4-10,16H,3,11,20H2,1-2H3
InChIKeyHJLJHPDLWIDJKB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-difluorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 63668595
N-ethyl-1-(4-fluoro-3-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 62121848
1-(4-bromo-3-fluorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 81432197
1-(4-chlorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 62002195
1-(2,6-difluorophenyl)-N-ethyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 61077098
1-(4-bromophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 63404268
1-(5-chloro-2-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine
CID 114842813
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
2-N-ethyl-3,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine
CID 62001435
2-(2,3-difluorophenyl)butan-1-amine
CID 130760393
N-(cyclopropylmethyl)-1-(2,3-difluorophenyl)-N-methylethane-1,2-diamine
CID 63668937

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine (CID 63668426) is 1-(2,3-difluorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine is CCN(c1ccc(C)cc1)C(CN)c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is HJLJHPDLWIDJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2/c1-3-21(13-9-7-12(2)8-10-13)16(11-20)14-5-4-6-15(18)17(14)19/h4-10,16H,3,11,20H2,1-2H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine?
1-(2,3-difluorophenyl)-N-ethyl-N-(4-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-(2,3-difluorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 63668426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).