4-fluoro-5-methoxy-1-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine

C14H22FN3O2 — CID 63599229

IUPAC4-fluoro-5-methoxy-1-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine
SMILESCOc1cc(NCCCN2CCOCC2)c(N)cc1F
InChIInChI=1S/C14H22FN3O2/c1-19-14-10-13(12(16)9-11(14)15)17-3-2-4-18-5-7-20-8-6-18/h9-10,17H,2-8,16H2,1H3
InChIKeyQOYCSLGOGCPFLG-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.55
Rot. Bonds6

About 4-fluoro-5-methoxy-1-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine

4-fluoro-5-methoxy-1-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine (PubChem CID 63599229) has the molecular formula C14H22FN3O2 and a molecular weight of 283.35 g/mol. Its IUPAC name is 4-fluoro-5-methoxy-1-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-5-methoxy-1-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine
PubChem CID63599229
Molecular FormulaC14H22FN3O2
Molecular Weight283.35 g/mol
Exact Mass283.17
IUPAC Name4-fluoro-5-methoxy-1-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine
SMILESCOc1cc(NCCCN2CCOCC2)c(N)cc1F
InChIInChI=1S/C14H22FN3O2/c1-19-14-10-13(12(16)9-11(14)15)17-3-2-4-18-5-7-20-8-6-18/h9-10,17H,2-8,16H2,1H3
InChIKeyQOYCSLGOGCPFLG-UHFFFAOYSA-N
XLogP1.55
TPSA59.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.55
H-Bond Donors ≤ 52
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-ethoxy-5-fluoro-2-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine
CID 63593924
4-fluoro-5-methoxy-1-N-(2-thiomorpholin-4-ylethyl)benzene-1,2-diamine
CID 106324734
2-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)aniline
CID 82538948
4-(2-amino-4-fluoro-5-methoxyanilino)butan-1-ol
CID 106840294
5-fluoro-2-methoxy-4-(2-morpholin-4-ylethyl)aniline
CID 59452886
4-bromo-1-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine
CID 43348214
1-N-[2-(3,5-difluorophenyl)ethyl]-4-fluoro-5-methoxybenzene-1,2-diamine
CID 63599783
2-fluoro-1-N-(4-morpholin-4-ylbutyl)benzene-1,4-diamine
CID 90022894
1-N-(1,4-dioxan-2-ylmethyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 63598879
4-methyl-3-N-(3-morpholin-4-ylpropyl)benzene-1,3-diamine
CID 55091459
4-fluoro-5-methoxy-1-N-[2-(oxolan-2-yl)ethyl]benzene-1,2-diamine
CID 63598542
1-N-(2,2-dimethylbutyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 103460154

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methoxy-1-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-5-methoxy-1-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine (CID 63599229) is 4-fluoro-5-methoxy-1-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-5-methoxy-1-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-5-methoxy-1-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine is COc1cc(NCCCN2CCOCC2)c(N)cc1F.
What is the InChIKey of 4-fluoro-5-methoxy-1-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine?
The InChIKey is QOYCSLGOGCPFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2/c1-19-14-10-13(12(16)9-11(14)15)17-3-2-4-18-5-7-20-8-6-18/h9-10,17H,2-8,16H2,1H3.
What are the key properties of 4-fluoro-5-methoxy-1-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine?
4-fluoro-5-methoxy-1-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine has a molecular weight of 283.35 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methoxy-1-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine is sourced from PubChem (CID 63599229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).