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

C15H16F2N2 — CID 65377575

IUPAC1-(2,3-difluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine
SMILESCc1cccc(NC(CN)c2cccc(F)c2F)c1
InChIInChI=1S/C15H16F2N2/c1-10-4-2-5-11(8-10)19-14(9-18)12-6-3-7-13(16)15(12)17/h2-8,14,19H,9,18H2,1H3
InChIKeyVPGGEHZZFOUJRI-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.39
Rot. Bonds4

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

1-(2,3-difluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine (PubChem CID 65377575) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine
PubChem CID65377575
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name1-(2,3-difluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine
SMILESCc1cccc(NC(CN)c2cccc(F)c2F)c1
InChIInChI=1S/C15H16F2N2/c1-10-4-2-5-11(8-10)19-14(9-18)12-6-3-7-13(16)15(12)17/h2-8,14,19H,9,18H2,1H3
InChIKeyVPGGEHZZFOUJRI-UHFFFAOYSA-N
XLogP3.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-2-(3-methylanilino)ethanol
CID 61050184
1-(2,3-difluorophenyl)-N-(2-methylphenyl)ethane-1,2-diamine
CID 65378631
2-(2,3-difluorophenyl)-2-(3-methylanilino)acetonitrile
CID 63669114
1-(3-chloro-4-fluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 81144777
2-(2,3-difluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79049466
1-(5-bromo-2-methoxyphenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 65377367
1-(2-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 65379421
1-(1-benzothiophen-3-yl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 65378412
N-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65377988
N-(3-methylphenyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65378191
1-[4-(dimethylamino)phenyl]-N-(3-methylphenyl)ethane-1,2-diamine
CID 65377987
1-(3-methylphenyl)-N-phenylethane-1,2-diamine
CID 65380714

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine (CID 65377575) is 1-(2,3-difluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine is Cc1cccc(NC(CN)c2cccc(F)c2F)c1.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine?
The InChIKey is VPGGEHZZFOUJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-10-4-2-5-11(8-10)19-14(9-18)12-6-3-7-13(16)15(12)17/h2-8,14,19H,9,18H2,1H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine?
1-(2,3-difluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine has a molecular weight of 262.30 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65377575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).