4-[N-(3-aminopropyl)-3-fluoroanilino]-2-methylbutan-2-ol

C14H23FN2O — CID 79361728

IUPAC4-[N-(3-aminopropyl)-3-fluoroanilino]-2-methylbutan-2-ol
SMILESCC(C)(O)CCN(CCCN)c1cccc(F)c1
InChIInChI=1S/C14H23FN2O/c1-14(2,18)7-10-17(9-4-8-16)13-6-3-5-12(15)11-13/h3,5-6,11,18H,4,7-10,16H2,1-2H3
InChIKeyGQRGWYUCOORXPT-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.14
Rot. Bonds7

About 4-[N-(3-aminopropyl)-3-fluoroanilino]-2-methylbutan-2-ol

4-[N-(3-aminopropyl)-3-fluoroanilino]-2-methylbutan-2-ol (PubChem CID 79361728) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 4-[N-(3-aminopropyl)-3-fluoroanilino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[N-(3-aminopropyl)-3-fluoroanilino]-2-methylbutan-2-ol
PubChem CID79361728
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name4-[N-(3-aminopropyl)-3-fluoroanilino]-2-methylbutan-2-ol
SMILESCC(C)(O)CCN(CCCN)c1cccc(F)c1
InChIInChI=1S/C14H23FN2O/c1-14(2,18)7-10-17(9-4-8-16)13-6-3-5-12(15)11-13/h3,5-6,11,18H,4,7-10,16H2,1-2H3
InChIKeyGQRGWYUCOORXPT-UHFFFAOYSA-N
XLogP2.14
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[N-(3-aminopropyl)anilino]-2-methylbutan-2-ol
CID 79359729
N'-[2-(diethylamino)ethyl]-N'-(3-fluorophenyl)propane-1,3-diamine
CID 43319044
N'-(3-ethylsulfonylpropyl)-N'-(3-fluorophenyl)propane-1,3-diamine
CID 65094027
N'-[(3,5-difluorophenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine
CID 104530933
N'-[(3,5-dimethylphenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine
CID 63487332
N-(3-aminopropyl)-N-(3-fluorophenyl)-2,2-dimethylbutanamide
CID 62677429
N'-(3-fluorophenyl)-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine
CID 61492057
5-(N-ethyl-3-fluoroanilino)-2,2-dimethylpentanethioamide
CID 65259841
N'-(3-fluorophenyl)-N'-[2-(1-methylpyrazol-4-yl)ethyl]propane-1,3-diamine
CID 103000063
N'-(3-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 28770717
N'-(3-fluorophenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 82865395
4-[N-(3-aminopropyl)-2-methoxyanilino]-2-methylbutan-2-ol
CID 79359732

Frequently Asked Questions

What is the IUPAC name of 4-[N-(3-aminopropyl)-3-fluoroanilino]-2-methylbutan-2-ol?
The IUPAC name of 4-[N-(3-aminopropyl)-3-fluoroanilino]-2-methylbutan-2-ol (CID 79361728) is 4-[N-(3-aminopropyl)-3-fluoroanilino]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[N-(3-aminopropyl)-3-fluoroanilino]-2-methylbutan-2-ol?
The canonical SMILES for 4-[N-(3-aminopropyl)-3-fluoroanilino]-2-methylbutan-2-ol is CC(C)(O)CCN(CCCN)c1cccc(F)c1.
What is the InChIKey of 4-[N-(3-aminopropyl)-3-fluoroanilino]-2-methylbutan-2-ol?
The InChIKey is GQRGWYUCOORXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-14(2,18)7-10-17(9-4-8-16)13-6-3-5-12(15)11-13/h3,5-6,11,18H,4,7-10,16H2,1-2H3.
What are the key properties of 4-[N-(3-aminopropyl)-3-fluoroanilino]-2-methylbutan-2-ol?
4-[N-(3-aminopropyl)-3-fluoroanilino]-2-methylbutan-2-ol has a molecular weight of 254.35 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-(3-aminopropyl)-3-fluoroanilino]-2-methylbutan-2-ol is sourced from PubChem (CID 79361728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).