4-(3-amino-5-fluoroanilino)-1-methoxybutan-2-ol

C11H17FN2O2 — CID 106243117

IUPAC4-(3-amino-5-fluoroanilino)-1-methoxybutan-2-ol
SMILESCOCC(O)CCNc1cc(N)cc(F)c1
InChIInChI=1S/C11H17FN2O2/c1-16-7-11(15)2-3-14-10-5-8(12)4-9(13)6-10/h4-6,11,14-15H,2-3,7,13H2,1H3
InChIKeyBWDIKMNYJTYLPM-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.22
Rot. Bonds6

About 4-(3-amino-5-fluoroanilino)-1-methoxybutan-2-ol

4-(3-amino-5-fluoroanilino)-1-methoxybutan-2-ol (PubChem CID 106243117) has the molecular formula C11H17FN2O2 and a molecular weight of 228.27 g/mol. Its IUPAC name is 4-(3-amino-5-fluoroanilino)-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-(3-amino-5-fluoroanilino)-1-methoxybutan-2-ol
PubChem CID106243117
Molecular FormulaC11H17FN2O2
Molecular Weight228.27 g/mol
Exact Mass228.13
IUPAC Name4-(3-amino-5-fluoroanilino)-1-methoxybutan-2-ol
SMILESCOCC(O)CCNc1cc(N)cc(F)c1
InChIInChI=1S/C11H17FN2O2/c1-16-7-11(15)2-3-14-10-5-8(12)4-9(13)6-10/h4-6,11,14-15H,2-3,7,13H2,1H3
InChIKeyBWDIKMNYJTYLPM-UHFFFAOYSA-N
XLogP1.22
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-3-N-(3-methoxypropyl)benzene-1,3-diamine
CID 60874799
4-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-1-methoxybutan-2-ol
CID 106249041
1-(3-amino-5-methylanilino)-3-methoxypropan-2-ol
CID 112647844
5-amino-3-fluoro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzenesulfonamide
CID 106242638
4-(2-amino-4-chloro-5-fluoroanilino)-1-methoxybutan-2-ol
CID 114163073
4-(4-amino-2-iodoanilino)-1-methoxybutan-2-ol
CID 106243071
4-fluoro-N-(3-hydroxy-4-methoxybutyl)-2,6-dimethylbenzenesulfonamide
CID 106150803
3-bromo-5-[(3-hydroxy-4-methoxybutyl)amino]benzonitrile
CID 114163749
4-(2-amino-5-methylanilino)-1-methoxybutan-2-ol
CID 106243145
5-fluoro-2-[(3-hydroxy-4-methoxybutyl)amino]benzoic acid
CID 106248539
1-methoxy-4-[3-nitro-5-(propylamino)anilino]butan-2-ol
CID 106248625
1-methoxy-4-[(2,4,5-trifluorophenyl)methylamino]butan-2-ol
CID 103876226

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-5-fluoroanilino)-1-methoxybutan-2-ol?
The IUPAC name of 4-(3-amino-5-fluoroanilino)-1-methoxybutan-2-ol (CID 106243117) is 4-(3-amino-5-fluoroanilino)-1-methoxybutan-2-ol.
What is the SMILES notation for 4-(3-amino-5-fluoroanilino)-1-methoxybutan-2-ol?
The canonical SMILES for 4-(3-amino-5-fluoroanilino)-1-methoxybutan-2-ol is COCC(O)CCNc1cc(N)cc(F)c1.
What is the InChIKey of 4-(3-amino-5-fluoroanilino)-1-methoxybutan-2-ol?
The InChIKey is BWDIKMNYJTYLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2/c1-16-7-11(15)2-3-14-10-5-8(12)4-9(13)6-10/h4-6,11,14-15H,2-3,7,13H2,1H3.
What are the key properties of 4-(3-amino-5-fluoroanilino)-1-methoxybutan-2-ol?
4-(3-amino-5-fluoroanilino)-1-methoxybutan-2-ol has a molecular weight of 228.27 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-5-fluoroanilino)-1-methoxybutan-2-ol is sourced from PubChem (CID 106243117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).