1-(2,4-difluorophenyl)-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine

C15H24F2N2O2 — CID 107520337

IUPAC1-(2,4-difluorophenyl)-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine
SMILESCOCCCN(CCOC)CC(N)c1ccc(F)cc1F
InChIInChI=1S/C15H24F2N2O2/c1-20-8-3-6-19(7-9-21-2)11-15(18)13-5-4-12(16)10-14(13)17/h4-5,10,15H,3,6-9,11,18H2,1-2H3
InChIKeyGEKNLOSQEQYSOR-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.95
Rot. Bonds10

About 1-(2,4-difluorophenyl)-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine

1-(2,4-difluorophenyl)-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine (PubChem CID 107520337) has the molecular formula C15H24F2N2O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine
PubChem CID107520337
Molecular FormulaC15H24F2N2O2
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name1-(2,4-difluorophenyl)-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine
SMILESCOCCCN(CCOC)CC(N)c1ccc(F)cc1F
InChIInChI=1S/C15H24F2N2O2/c1-20-8-3-6-19(7-9-21-2)11-15(18)13-5-4-12(16)10-14(13)17/h4-5,10,15H,3,6-9,11,18H2,1-2H3
InChIKeyGEKNLOSQEQYSOR-UHFFFAOYSA-N
XLogP1.95
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[2-amino-2-(2,4-difluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 107522172
1-(2,5-difluorophenyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 107520054
(1R)-1-(2,4-difluorophenyl)-3-fluoropropan-1-amine;hydrochloride
CID 171199037
1-(2-fluoro-4-methoxyphenyl)-4-methoxybutan-1-amine
CID 114856693
(1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine
CID 28780270
N-[(2,4-difluorophenyl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine
CID 46954040
1-(2,5-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol
CID 110908139
N'-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine
CID 66365452
(2R)-2-amino-2-(2,4-difluorophenyl)ethanol;hydrochloride
CID 67034313
methyl 5-amino-5-(2,4-difluorophenyl)pentanoate
CID 54927803
(1R)-1-(2,4-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171199026
1-[(2,4-difluorophenyl)methyl-(3-methoxypropyl)amino]-3-prop-2-ynoxypropan-2-ol
CID 24713954

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine (CID 107520337) is 1-(2,4-difluorophenyl)-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine is COCCCN(CCOC)CC(N)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine?
The InChIKey is GEKNLOSQEQYSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2O2/c1-20-8-3-6-19(7-9-21-2)11-15(18)13-5-4-12(16)10-14(13)17/h4-5,10,15H,3,6-9,11,18H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine?
1-(2,4-difluorophenyl)-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine has a molecular weight of 302.37 g/mol, XLogP of 1.95, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine is sourced from PubChem (CID 107520337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).