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

C15H16F2N2O — CID 65376485

IUPAC1-(2,6-difluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1cccc(NC(CN)c2c(F)cccc2F)c1
InChIInChI=1S/C15H16F2N2O/c1-20-11-5-2-4-10(8-11)19-14(9-18)15-12(16)6-3-7-13(15)17/h2-8,14,19H,9,18H2,1H3
InChIKeyONYMNYIFEWBFDR-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.09
Rot. Bonds5

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

1-(2,6-difluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine (PubChem CID 65376485) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
PubChem CID65376485
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name1-(2,6-difluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1cccc(NC(CN)c2c(F)cccc2F)c1
InChIInChI=1S/C15H16F2N2O/c1-20-11-5-2-4-10(8-11)19-14(9-18)15-12(16)6-3-7-13(15)17/h2-8,14,19H,9,18H2,1H3
InChIKeyONYMNYIFEWBFDR-UHFFFAOYSA-N
XLogP3.09
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 65379421
1-(4-bromo-3-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 81437578
1-(2,3-dimethylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 65378155
N-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethane-1,2-diamine
CID 65379203
1-(2,5-dimethoxyphenyl)-N-(3-fluorophenyl)ethane-1,2-diamine
CID 65383399
N-(3-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66119415
2-fluoro-4-[2-hydroxy-1-(3-methoxyanilino)ethyl]phenol
CID 107693461
1-(2-chloro-6-fluorophenyl)-N-(3-chlorophenyl)ethane-1,2-diamine
CID 65384020
2-N-(3-methoxyphenyl)-3-phenylpropane-1,2-diamine
CID 65376487
1-(2,6-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 61063803
3-methoxy-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43196395
N-(3-bromophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
CID 65378731

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine (CID 65376485) is 1-(2,6-difluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine is COc1cccc(NC(CN)c2c(F)cccc2F)c1.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is ONYMNYIFEWBFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-20-11-5-2-4-10(8-11)19-14(9-18)15-12(16)6-3-7-13(15)17/h2-8,14,19H,9,18H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine?
1-(2,6-difluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 278.30 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65376485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).