1-(2,5-difluorophenyl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine

C16H18F2N2O — CID 107520677

IUPAC1-(2,5-difluorophenyl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
SMILESCOc1ccccc1N(C)CC(N)c1cc(F)ccc1F
InChIInChI=1S/C16H18F2N2O/c1-20(15-5-3-4-6-16(15)21-2)10-14(19)12-9-11(17)7-8-13(12)18/h3-9,14H,10,19H2,1-2H3
InChIKeyFMHAGVQOSMPCIH-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.11
Rot. Bonds5

About 1-(2,5-difluorophenyl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine

1-(2,5-difluorophenyl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine (PubChem CID 107520677) has the molecular formula C16H18F2N2O and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
PubChem CID107520677
Molecular FormulaC16H18F2N2O
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name1-(2,5-difluorophenyl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
SMILESCOc1ccccc1N(C)CC(N)c1cc(F)ccc1F
InChIInChI=1S/C16H18F2N2O/c1-20(15-5-3-4-6-16(15)21-2)10-14(19)12-9-11(17)7-8-13(12)18/h3-9,14H,10,19H2,1-2H3
InChIKeyFMHAGVQOSMPCIH-UHFFFAOYSA-N
XLogP3.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 107520674
1-(2,5-difluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 107520728
1-(2,5-difluorophenyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 107520054
1-(2,5-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 107521267
1-(2,5-difluorophenyl)-2-(2-methylphenoxy)ethanamine
CID 16789582
1-(2,5-difluorophenyl)-N'-(2-ethoxyethyl)-N'-methylethane-1,2-diamine
CID 107521825
(1S)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 171224945
(2,5-difluorophenyl)-(2-methoxyphenyl)methanol
CID 61100106
2-[bromo-(2-methoxyphenyl)methyl]-1,4-difluorobenzene
CID 61096891
5-methoxy-1-N-(2-methoxyphenyl)-1-N-methylpentane-1,2-diamine
CID 81101758
methyl (3R)-3-amino-3-(2,5-difluorophenyl)propanoate;hydrochloride
CID 171247795
N'-(1-cyclopropylethyl)-1-(2,5-difluorophenyl)-N'-methylethane-1,2-diamine
CID 107519713

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of 1-(2,5-difluorophenyl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine (CID 107520677) is 1-(2,5-difluorophenyl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine is COc1ccccc1N(C)CC(N)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine?
The InChIKey is FMHAGVQOSMPCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O/c1-20(15-5-3-4-6-16(15)21-2)10-14(19)12-9-11(17)7-8-13(12)18/h3-9,14H,10,19H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine?
1-(2,5-difluorophenyl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine has a molecular weight of 292.33 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 107520677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).