2-fluoro-6-(3-morpholin-4-ylpropylamino)benzenecarboximidamide

C14H21FN4O — CID 82253738

IUPAC2-fluoro-6-(3-morpholin-4-ylpropylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1NCCCN1CCOCC1
InChIInChI=1S/C14H21FN4O/c15-11-3-1-4-12(13(11)14(16)17)18-5-2-6-19-7-9-20-10-8-19/h1,3-4,18H,2,5-10H2,(H3,16,17)
InChIKeyCJRWIORHWHBXMD-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.24
Rot. Bonds6

About 2-fluoro-6-(3-morpholin-4-ylpropylamino)benzenecarboximidamide

2-fluoro-6-(3-morpholin-4-ylpropylamino)benzenecarboximidamide (PubChem CID 82253738) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-fluoro-6-(3-morpholin-4-ylpropylamino)benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-6-(3-morpholin-4-ylpropylamino)benzenecarboximidamide
PubChem CID82253738
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name2-fluoro-6-(3-morpholin-4-ylpropylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1NCCCN1CCOCC1
InChIInChI=1S/C14H21FN4O/c15-11-3-1-4-12(13(11)14(16)17)18-5-2-6-19-7-9-20-10-8-19/h1,3-4,18H,2,5-10H2,(H3,16,17)
InChIKeyCJRWIORHWHBXMD-UHFFFAOYSA-N
XLogP1.24
TPSA74.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propylamino]-6-fluorophenyl]ethanone
CID 133433973
2,3-difluoro-4-(3-morpholin-4-ylpropylamino)benzenecarbothioamide
CID 107934510
5-fluoro-2-(3-morpholin-4-ylpropylamino)benzenecarbothioamide
CID 63674197
2-amino-3-(3-morpholin-4-ylpropylamino)benzonitrile
CID 104716278
2-fluoro-1-N-(4-morpholin-4-ylbutyl)benzene-1,4-diamine
CID 90022894
methyl 2-amino-3-(3-morpholin-4-ylpropylamino)benzoate
CID 115544710
2-fluoro-6-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide;hydrochloride
CID 82253606
2,3-difluoro-4-(3-morpholin-4-ylpropylamino)benzoic acid
CID 79834479
2-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)aniline
CID 82538948
N-[1-(2,6-difluorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 43204967
2-bromo-3-fluoro-4-(3-morpholin-4-ylpropylamino)benzoic acid
CID 107539960
8-chloro-N-(3-morpholin-4-ylpropyl)cinnolin-4-amine
CID 20922967

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(3-morpholin-4-ylpropylamino)benzenecarboximidamide?
The IUPAC name of 2-fluoro-6-(3-morpholin-4-ylpropylamino)benzenecarboximidamide (CID 82253738) is 2-fluoro-6-(3-morpholin-4-ylpropylamino)benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-6-(3-morpholin-4-ylpropylamino)benzenecarboximidamide?
The canonical SMILES for 2-fluoro-6-(3-morpholin-4-ylpropylamino)benzenecarboximidamide is [H]/N=C(\N)c1c(F)cccc1NCCCN1CCOCC1.
What is the InChIKey of 2-fluoro-6-(3-morpholin-4-ylpropylamino)benzenecarboximidamide?
The InChIKey is CJRWIORHWHBXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O/c15-11-3-1-4-12(13(11)14(16)17)18-5-2-6-19-7-9-20-10-8-19/h1,3-4,18H,2,5-10H2,(H3,16,17).
What are the key properties of 2-fluoro-6-(3-morpholin-4-ylpropylamino)benzenecarboximidamide?
2-fluoro-6-(3-morpholin-4-ylpropylamino)benzenecarboximidamide has a molecular weight of 280.35 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(3-morpholin-4-ylpropylamino)benzenecarboximidamide is sourced from PubChem (CID 82253738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).