2-fluoro-5-methoxy-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine

C14H23FN2O3 — CID 107259012

IUPAC2-fluoro-5-methoxy-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine
SMILESCOCCCN(CCOC)c1cc(OC)c(N)cc1F
InChIInChI=1S/C14H23FN2O3/c1-18-7-4-5-17(6-8-19-2)13-10-14(20-3)12(16)9-11(13)15/h9-10H,4-8,16H2,1-3H3
InChIKeyREYAZZGZBORNBF-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.91
Rot. Bonds9

About 2-fluoro-5-methoxy-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine

2-fluoro-5-methoxy-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine (PubChem CID 107259012) has the molecular formula C14H23FN2O3 and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-fluoro-5-methoxy-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-5-methoxy-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine
PubChem CID107259012
Molecular FormulaC14H23FN2O3
Molecular Weight286.35 g/mol
Exact Mass286.17
IUPAC Name2-fluoro-5-methoxy-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine
SMILESCOCCCN(CCOC)c1cc(OC)c(N)cc1F
InChIInChI=1S/C14H23FN2O3/c1-18-7-4-5-17(6-8-19-2)13-10-14(20-3)12(16)9-11(13)15/h9-10H,4-8,16H2,1-3H3
InChIKeyREYAZZGZBORNBF-UHFFFAOYSA-N
XLogP1.91
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-5-methoxy-1-N,1-N-bis(2-methoxyethyl)benzene-1,2-diamine
CID 63597825
2-methoxy-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)benzene-1,4-diamine
CID 63675678
4,5-dimethoxy-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine
CID 83000799
1-N-(1-cyclopropylethyl)-2-fluoro-5-methoxy-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 107259041
2,6-difluoro-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine
CID 54985046
3-(4-amino-N-ethyl-2-fluoro-5-methoxyanilino)propanenitrile
CID 107259021
4-[(1S)-1-aminoethyl]-2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 78934764
2-fluoro-5-methoxy-1-N-methyl-1-N-pentan-3-ylbenzene-1,4-diamine
CID 107258820
(1S)-1-[3-fluoro-4-[2-methoxyethyl(3-methoxypropyl)amino]phenyl]ethanol
CID 78940410
2-fluoro-5-methoxy-1-N-methyl-1-N-(3-phenylpropyl)benzene-1,4-diamine
CID 107258842
2-(difluoromethyl)-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine
CID 63734268
2-fluoro-5-methoxy-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine
CID 107258627

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methoxy-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine?
The IUPAC name of 2-fluoro-5-methoxy-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine (CID 107259012) is 2-fluoro-5-methoxy-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-5-methoxy-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine?
The canonical SMILES for 2-fluoro-5-methoxy-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine is COCCCN(CCOC)c1cc(OC)c(N)cc1F.
What is the InChIKey of 2-fluoro-5-methoxy-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine?
The InChIKey is REYAZZGZBORNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O3/c1-18-7-4-5-17(6-8-19-2)13-10-14(20-3)12(16)9-11(13)15/h9-10H,4-8,16H2,1-3H3.
What are the key properties of 2-fluoro-5-methoxy-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine?
2-fluoro-5-methoxy-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine has a molecular weight of 286.35 g/mol, XLogP of 1.91, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methoxy-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine is sourced from PubChem (CID 107259012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).